T0L
Summary
| Name: | 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid |
| Formula: | C16 H9 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 296.708 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H9ClN2O2/c17-14-2-1-9(5-11(14)8-18)13-6-10(16(20)21)7-15-12(13)3-4-19-15/h1-7,19H,(H,20,21) |
| InChIKey | InChI | 1.06 | LOEVXPKFXLHBHC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)c(c3)C#N |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)c(c3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2cc(cc3c2cc[nH]3)C(=O)O)C#N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2cc(cc3c2cc[nH]3)C(=O)O)C#N)Cl |
