A7X
Summary
| Name: | 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid |
| Synonyms: | (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid |
| Formula: | C17 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 294.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{E})-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14N2O3/c1-19-15-9-12(18)6-7-13(15)14(16(19)20)8-10-2-4-11(5-3-10)17(21)22/h2-9H,18H2,1H3,(H,21,22)/b14-8+ |
| InChIKey | InChI | 1.06 | HPSKLFWGMXKJLX-RIYZIHGNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)/C(=C/c2ccc(cc2)C(O)=O)c3ccc(N)cc13 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C(=Cc2ccc(cc2)C(O)=O)c3ccc(N)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2cc(ccc2/C(=C\c3ccc(cc3)C(=O)O)/C1=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2cc(ccc2C(=Cc3ccc(cc3)C(=O)O)C1=O)N |
