A1I5P
Summary
| Name: | methyl 2-azanyl-1~{H}-indole-3-carboxylate |
| Formula: | C10 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 2-azanyl-1~{H}-indole-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H10N2O2/c1-14-10(13)8-6-4-2-3-5-7(6)12-9(8)11/h2-5,12H,11H2,1H3 |
| InChIKey | InChI | 1.06 | XPOFELVXMSSKQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(N)[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)c1c(N)[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c2ccccc2[nH]c1N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c2ccccc2[nH]c1N |
