[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C20H16Cl2FNO4 MolecularWeight: 424.249743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=C(C=C(C=C2)Cl)F)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=C(C=C(C=C2)Cl)F)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16Cl2FNO4/c21-13-6-4-12(5-7-13)18(25)24-10-2-1-3-17(19(24)26)28-20(27)15-9-8-14(22)11-16(15)23/h4-9,11,17H,1-3,10H2