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

Systemtic Name: diethyl 2-ethoxy-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-ethoxy-propanedioate CAS Name: 2-ethoxy-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-ethoxypropanedioate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-ethoxy-malonic acid diethyl ester Formula: C20H24N4O8 MolecularWeight: 448.42656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O8/c1-4-30-18(26)20(32-6-3,19(27)31-5-2)22-16(25)15-17(24(28)29)23(13-21-15)12-14-10-8-7-9-11-14/h7-11,13H,4-6,12H2,1-3H3,(H,22,25)