diethyl 2-[4-(4-chlorophenyl)carbonyl-2-nitro-phenyl]propanedioate

Systemtic Name: diethyl 2-[4-(4-chlorophenyl)carbonyl-2-nitro-phenyl]propanedioate Openeye Name: diethyl 2-[4-(4-chlorobenzoyl)-2-nitro-phenyl]propanedioate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-2-nitrophenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-chlorobenzoyl)-2-nitrophenyl]propanedioate Traditional Name: 2-[4-(4-chlorobenzoyl)-2-nitro-phenyl]malonic acid diethyl ester Formula: C20H18ClNO7 MolecularWeight: 419.81242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H18ClNO7/c1-3-28-19(24)17(20(25)29-4-2)15-10-7-13(11-16(15)22(26)27)18(23)12-5-8-14(21)9-6-12/h5-11,17H,3-4H2,1-2H3