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

Systemtic Name: diethyl 2-acetamido-2-[(4-methoxy-3-nitro-phenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-methoxy-3-nitro-phenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-methoxy-3-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-methoxy-3-nitrophenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(4-methoxy-3-nitro-benzyl)malonic acid diethyl ester Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O8/c1-5-26-15(21)17(18-11(3)20,16(22)27-6-2)10-12-7-8-14(25-4)13(9-12)19(23)24/h7-9H,5-6,10H2,1-4H3,(H,18,20)