PDB CCD ID: | 0RZ |
Number of entries in BioLiP: | 2 |
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-SNAWJCMRSA-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 | 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 | OpenEye OEToolkits 1.7.6 | c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N |
|
Name: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid |
ChEMBL: | CHEMBL2179988 |
ZINC: | ZINC000000116510 |