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

Systemtic Name: diethyl 2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-hydroxy-propanedioate CAS Name: 2-hydroxy-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-hydroxypropanedioate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-hydroxy-malonic acid diethyl ester Formula: C18H20N4O8 MolecularWeight: 420.3734

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O8/c1-3-29-16(24)18(26,17(25)30-4-2)20-14(23)13-15(22(27)28)21(11-19-13)10-12-8-6-5-7-9-12/h5-9,11,26H,3-4,10H2,1-2H3,(H,20,23)