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

Systemtic Name: diethyl 2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-[(4-methoxy-4-oxo-butanoyl)amino]propanedioate CAS Name: 2-[(4-methoxy-1,4-dioxobutyl)amino]-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-[(4-methoxy-4-oxobutanoyl)amino]propanedioate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-[(4-keto-4-methoxy-butanoyl)amino]malonic acid diethyl ester Formula: C23H27N5O10 MolecularWeight: 533.48798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O10/c1-4-37-21(32)23(22(33)38-5-2,25-16(29)11-12-17(30)36-3)26-19(31)18-20(28(34)35)27(14-24-18)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,25,29)(H,26,31)