![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
E92 : Summary
Code ![](/pdbe/static/images/help.png)
|
E92
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C16 H10 Cl N O3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
299.709 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl |
Canonical SMILES
|
CACTVS |
3.385 |
Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CVLFPXGWUQAEEW-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
31 (21 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2018-03-05
|
Last modified at ![](/pdbe/static/images/help.png)
|
2018-04-20
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|