IJB
Summary
| Name: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid |
| Formula: | C16 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 280.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12N2O3/c17-11-5-6-12-13(15(19)18-14(12)8-11)7-9-1-3-10(4-2-9)16(20)21/h1-8H,17H2,(H,18,19)(H,20,21)/b13-7+ |
| InChIKey | InChI | 1.06 | ZHACTBVJLNRYNH-NTUHNPAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc\2c(NC(=O)C\2=C/c3ccc(cc3)C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2c(NC(=O)C2=Cc3ccc(cc3)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/2\c3ccc(cc3NC2=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=C2c3ccc(cc3NC2=O)N)C(=O)O |
