TTR
Summary
| Name: | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE |
| Formula: | C14 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 227.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one |
| OpenEye OEToolkits | 1.5.0 | 9-ethanoyl-3,4-dihydro-2H-carbazol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3c2c(c1c(cccc1)n2C(=O)C)CCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)n1c2ccccc2c3CCCC(=O)c13 |
| SMILES | CACTVS | 3.341 | CC(=O)n1c2ccccc2c3CCCC(=O)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)n1c2ccccc2c3c1C(=O)CCC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)n1c2ccccc2c3c1C(=O)CCC3 |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3 |
| InChIKey | InChI | 1.03 | MIGJEXKBUJPKJF-UHFFFAOYSA-N |
