diethyl 2-methyl-2-[4-nitro-3-(phenylcarbonyl)phenyl]propanedioate

Systemtic Name: diethyl 2-methyl-2-[4-nitro-3-(phenylcarbonyl)phenyl]propanedioate Openeye Name: diethyl 2-(3-benzoyl-4-nitro-phenyl)-2-methyl-propanedioate CAS Name: 2-(3-benzoyl-4-nitrophenyl)-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-benzoyl-4-nitrophenyl)-2-methylpropanedioate Traditional Name: 2-(3-benzoyl-4-nitro-phenyl)-2-methyl-malonic acid diethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-4-28-19(24)21(3,20(25)29-5-2)15-11-12-17(22(26)27)16(13-15)18(23)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3