| PDB CCD ID: | X9I |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H13 N3 O5 |
| InChI: | InChI=1S/C15H13N3O5/c16-14(19)12-7-11(18(22)23)5-6-13(12)17-8-9-1-3-10(4-2-9)15(20)21/h1-7,17H,8H2,(H2,16,19)(H,20,21) |
| InChIKey: | CASBTGCUPQIBNJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | NC(=O)c1cc(ccc1NCc2ccc(cc2)C(O)=O)[N+]([O-])=O | | ACDLabs 12.01 | O=C(O)c1ccc(cc1)CNc2ccc(cc2C(=O)N)[N+]([O-])=O | | OpenEye OEToolkits 1.7.0 | c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O |
|
| Name: | 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid |
| ChEMBL: | CHEMBL1416877 |
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