T0X
Summary
| Name: | 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid |
| Formula: | C17 H11 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 310.734 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H11ClN2O2/c1-9-13(17(21)22)7-14(12-4-5-20-16(9)12)10-2-3-15(18)11(6-10)8-19/h2-7,20H,1H3,(H,21,22) |
| InChIKey | InChI | 1.06 | WKRMVDGCONSBRA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)c(c3)C#N |
| SMILES | CACTVS | 3.385 | Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)c(c3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)C#N)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)C#N)Cl)C(=O)O |
