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

Systemtic Name: diethyl 2-methyl-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-methyl-propanedioate CAS Name: 2-methyl-2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]-2-methylpropanedioate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-methyl-malonic acid diethyl ester Formula: C19H22N4O7 MolecularWeight: 418.40058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O7/c1-4-29-17(25)19(3,18(26)30-5-2)21-15(24)14-16(23(27)28)22(12-20-14)11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,21,24)