TB8
Summary
| Name: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide |
| Formula: | C9 H8 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 197.618 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+ |
| InChIKey | InChI | 1.03 | HMGPSDPNANTYKH-AATRIKPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)\C=C\c1ccccc1Cl |
| SMILES | CACTVS | 3.385 | ONC(=O)C=Cc1ccccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)/C=C/C(=O)NO)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C=CC(=O)NO)Cl |
