A1D9L
Summary
| Name: | 4-(2-nitroethyl)-1~{H}-indole |
| 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 | 4-(2-nitroethyl)-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H10N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-4,6,11H,5,7H2 |
| InChIKey | InChI | 1.06 | BPLMVBGQIVJWSL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)CCc1cccc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)CCc1cccc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc[nH]c2c1)CC[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc[nH]c2c1)CC[N+](=O)[O-] |
