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1L5 : Summary
Code ![](/pdbe/static/images/help.png)
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1L5
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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[(1E)-1-nitroprop-1-en-2-yl]benzene
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H9 N O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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163.173 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=N(=O)/C=C(/c1ccccc1)C |
SMILES
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CACTVS |
3.370 |
CC(=C[N](=O)=O)c1ccccc1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=CN(=O)=O)c1ccccc1 |
Canonical SMILES
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CACTVS |
3.370 |
CC(=C/[N](=O)=O)\c1ccccc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C/C(=C\N(=O)=O)/c1ccccc1 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H9NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KFNFMBKUWFTFAE-BQYQJAHWSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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21 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2013-03-13
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Last modified at ![](/pdbe/static/images/help.png)
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2013-05-03
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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