AY3
Summary
| Name: | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid |
| Formula: | C16 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 265.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H11NO3/c18-15-13(12-3-1-2-4-14(12)17-15)9-10-5-7-11(8-6-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+ |
| InChIKey | InChI | 1.06 | YILTUWKDVMACDH-UKTHLTGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)\C=C2\C(=O)Nc3ccccc23 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)C=C2C(=O)Nc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)/C(=C\c3ccc(cc3)C(=O)O)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=Cc3ccc(cc3)C(=O)O)C(=O)N2 |
