[2-[3-chloranyl-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]cyclopentyl] 4-bromanylbenzoate

Systemtic Name: [2-[3-chloranyl-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]cyclopentyl] 4-bromanylbenzoate Openeye Name: [2-[2-(4-chloroanilino)-1-(chloromethyl)-2-oxo-ethyl]cyclopentyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[3-chloro-1-(4-chloroanilino)-1-oxopropan-2-yl]cyclopentyl] ester IUPAC Name: [2-[3-chloro-1-(4-chloroanilino)-1-oxopropan-2-yl]cyclopentyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[2-(4-chloroanilino)-1-(chloromethyl)-2-keto-ethyl]cyclopentyl] ester Formula: C21H20BrCl2NO3 MolecularWeight: 485.1984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)OC(=O)C2=CC=C(C=C2)Br)C(CCl)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(C(C1)OC(=O)C2=CC=C(C=C2)Br)C(CCl)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20BrCl2NO3/c22-14-6-4-13(5-7-14)21(27)28-19-3-1-2-17(19)18(12-23)20(26)25-16-10-8-15(24)9-11-16/h4-11,17-19H,1-3,12H2,(H,25,26)