70T
Summary
| Name: | 2-methyl-5-nitro-1H-indole |
| Formula: | C9 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 176.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-5-nitro-1H-indole |
| OpenEye OEToolkits | 2.0.5 | 2-methyl-5-nitro-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c1cc(ccc1nc2C)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3 |
| InChIKey | InChI | 1.03 | IDJGRXQMAHESOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2ccc(cc2c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2ccc(cc2c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-] |
