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

Systemtic Name: diethyl 2-methoxy-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-methoxy-propanedioate CAS Name: 2-methoxy-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-methoxypropanedioate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-methoxy-malonic acid diethyl ester Formula: C19H22N4O8 MolecularWeight: 434.39998

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O8/c1-4-30-17(25)19(29-3,18(26)31-5-2)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)