0RZ
Summary
Name: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid |
Formula: | C11 H10 N2 O4 |
Formal charge: | 0 |
Formula weight: | 234.208 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid |
OpenEye OEToolkits | 1.7.6 | (E)-4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-but-2-enoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cc(ccc1)C(=O)N)\C=C\C(=O)O |
InChI | InChI | 1.03 | 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 | InChI | 1.03 | GNFSYBNDPOBXLJ-SNAWJCMRSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cccc(NC(=O)/C=C/C(O)=O)c1 |
SMILES | CACTVS | 3.370 | NC(=O)c1cccc(NC(=O)C=CC(O)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=O)/C=C/C(=O)O)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=O)C=CC(=O)O)C(=O)N |