A1I3D
Summary
| Name: | 2-oxidanylidene-1,3-dihydroindole-5-carboxylic acid |
| Formula: | C9 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 177.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-oxidanylidene-1,3-dihydroindole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H7NO3/c11-8-4-6-3-5(9(12)13)1-2-7(6)10-8/h1-3H,4H2,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | LLLKBUWXODIMEW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2NC(=O)Cc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2NC(=O)Cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)CC(=O)N2 |
