12B
Summary
| Name: | BENZO[CD]INDOL-2(1H)-ONE |
| Formula: | C11 H7 N O |
| Formal charge: | 0 |
| Formula weight: | 169.179 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | benzo[cd]indol-2(1H)-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3c2cccc1cccc(c12)N3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1Nc2cccc3cccc1c23 |
| SMILES | CACTVS | 3.341 | O=C1Nc2cccc3cccc1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cccc3c2c(c1)C(=O)N3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cccc3c2c(c1)C(=O)N3 |
| InChI | InChI | 1.03 | InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.03 | GPYLCFQEKPUWLD-UHFFFAOYSA-N |
