diethyl 2-methyl-2-[methyl-[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonyl-amino]propanedioate

Systemtic Name: diethyl 2-methyl-2-[methyl-[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonyl-amino]propanedioate Openeye Name: diethyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)-methyl-amino]-2-methyl-propanedioate CAS Name: 2-methyl-2-[methyl-[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)-methylamino]-2-methylpropanedioate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)-methyl-amino]-2-methyl-malonic acid diethyl ester Formula: C20H24N4O7 MolecularWeight: 432.42716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(=O)OCC)N(C)C(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(C(=O)OCC)N(C)C(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7/c1-5-30-18(26)20(3,19(27)31-6-2)22(4)17(25)15-16(24(28)29)23(13-21-15)12-14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3