0RY
Summary
| Name: | (2Z)-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 | (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (Z)-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-PLNGDYQASA-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 |
