[2-[4-acetamido-2-(chloromethyl)phenyl]-3-oxidanylidene-cyclopenten-1-yl] 4-chloranylbenzoate

Systemtic Name: [2-[4-acetamido-2-(chloromethyl)phenyl]-3-oxidanylidene-cyclopenten-1-yl] 4-chloranylbenzoate Openeye Name: [2-[4-acetamido-2-(chloromethyl)phenyl]-3-oxo-cyclopenten-1-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[4-acetamido-2-(chloromethyl)phenyl]-3-oxo-1-cyclopentenyl] ester IUPAC Name: [2-[4-acetamido-2-(chloromethyl)phenyl]-3-oxocyclopenten-1-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[4-acetamido-2-(chloromethyl)phenyl]-3-keto-cyclopenten-1-yl] ester Formula: C21H17Cl2NO4 MolecularWeight: 418.26998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=C(CCC2=O)OC(=O)C3=CC=C(C=C3)Cl)CCl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=C(CCC2=O)OC(=O)C3=CC=C(C=C3)Cl)CCl

InChI

InChI=1S/C21H17Cl2NO4/c1-12(25)24-16-6-7-17(14(10-16)11-22)20-18(26)8-9-19(20)28-21(27)13-2-4-15(23)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,24,25)