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PDBeChem : Molecule Descriptors
Molecule : NPO
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H |
2 |
InChIKey
|
InChI |
1.03 |
BTJIUGUIPKRLHP-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=[N+]([O-])c1ccc(O)cc1 |
4 |
SMILES
|
CACTVS |
3.341 |
Oc1ccc(cc1)[N+]([O-])=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1[N+](=O)[O-])O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
Oc1ccc(cc1)[N+]([O-])=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1[N+](=O)[O-])O |
|