HHW
Summary
| Name: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid |
| Formula: | C16 H12 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 301.724 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+ |
| InChIKey | InChI | 1.03 | LCXLBLQWTJEACF-RUDMXATFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C=C\c1cccc(c1)C(=O)Nc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)C=CC(=O)O |
