A1COX
Summary
| Name: | methyl 1H-indole-6-carboxylate |
| Formula: | C10 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 175.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | methyl 1H-indole-6-carboxylate |
| OpenEye OEToolkits | 3.1.0.0 | methyl 1~{H}-indole-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OC)c1ccc2cc[NH]c2c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3 |
| InChIKey | InChI | 1.06 | AYYOZKHMSABVRP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc2cc[nH]c2c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc2cc[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)c1ccc2cc[nH]c2c1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)c1ccc2cc[nH]c2c1 |
