| PDB CCD ID: | 0RY |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C11 H10 N2 O4 |
| InChI: | InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4- |
| InChIKey: | GNFSYBNDPOBXLJ-PLNGDYQASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 | | ACDLabs 12.01 | O=C(Nc1cc(ccc1)C(=O)N)/C=C\C(=O)O | | OpenEye OEToolkits 1.7.6 | c1cc(cc(c1)NC(=O)/C=C\C(=O)O)C(=O)N | | CACTVS 3.370 | NC(=O)c1cccc(NC(=O)C=CC(O)=O)c1 | | OpenEye OEToolkits 1.7.6 | c1cc(cc(c1)NC(=O)C=CC(=O)O)C(=O)N |
|
| Name: | (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid |
| ChEMBL: | CHEMBL2179989 |
| ZINC: | ZINC000033286715 |
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