diethyl 2-(4,5-dimethyl-2-nitro-phenyl)carbonylpropanedioate

Systemtic Name: diethyl 2-(4,5-dimethyl-2-nitro-phenyl)carbonylpropanedioate Openeye Name: diethyl 2-(4,5-dimethyl-2-nitro-benzoyl)propanedioate CAS Name: 2-[(4,5-dimethyl-2-nitrophenyl)-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4,5-dimethyl-2-nitrobenzoyl)propanedioate Traditional Name: 2-(4,5-dimethyl-2-nitro-benzoyl)malonic acid diethyl ester Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO7/c1-5-23-15(19)13(16(20)24-6-2)14(18)11-7-9(3)10(4)8-12(11)17(21)22/h7-8,13H,5-6H2,1-4H3