dimethyl 2-[(2Z)-1-(2-chlorophenyl)-3-oxidanylidene-2-(phenylmethylidene)butyl]propanedioate

Systemtic Name: dimethyl 2-[(2Z)-1-(2-chlorophenyl)-3-oxidanylidene-2-(phenylmethylidene)butyl]propanedioate Openeye Name: dimethyl 2-[(2Z)-2-benzylidene-1-(2-chlorophenyl)-3-oxo-butyl]propanedioate CAS Name: 2-[(2Z)-1-(2-chlorophenyl)-3-oxo-2-(phenylmethylene)butyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2Z)-2-benzylidene-1-(2-chlorophenyl)-3-oxobutyl]propanedioate Traditional Name: 2-[(Z)-2-acetyl-1-(2-chlorophenyl)-3-phenyl-allyl]malonic acid dimethyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)C(C2=CC=CC=C2Cl)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1)/C(C2=CC=CC=C2Cl)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H21ClO5/c1-14(24)17(13-15-9-5-4-6-10-15)19(16-11-7-8-12-18(16)23)20(21(25)27-2)22(26)28-3/h4-13,19-20H,1-3H3/b17-13+