diethyl 2-acetamido-2-[(3,4-dimethoxy-5-nitro-phenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(3,4-dimethoxy-5-nitro-phenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(3,4-dimethoxy-5-nitro-phenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(3,4-dimethoxy-5-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(3,4-dimethoxy-5-nitrophenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(3,4-dimethoxy-5-nitro-benzyl)malonic acid diethyl ester Formula: C18H24N2O9 MolecularWeight: 412.39116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)OC)OC)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)OC)OC)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H24N2O9/c1-6-28-16(22)18(19-11(3)21,17(23)29-7-2)10-12-8-13(20(24)25)15(27-5)14(9-12)26-4/h8-9H,6-7,10H2,1-5H3,(H,19,21)