6UW
Summary
| Name: | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid |
| Formula: | C16 H11 Cl F N O3 |
| Formal charge: | 0 |
| Formula weight: | 319.715 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H11ClFNO3/c17-12-5-2-6-13(18)11(12)8-19-7-9-3-1-4-10(16(21)22)14(9)15(19)20/h1-6H,7-8H2,(H,21,22) |
| InChIKey | InChI | 1.03 | FOKWRONEBQFTDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2CN(Cc3c(F)cccc3Cl)C(=O)c12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2CN(Cc3c(F)cccc3Cl)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F |
