N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitro-imidazol-2-yl)carbonylamino]imidazole-2-carboxamide

Systemtic Name: N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitro-imidazol-2-yl)carbonylamino]imidazole-2-carboxamide Openeye Name: N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]imidazole-2-carboxamide CAS Name: N-(2-cyanoethyl)-1-methyl-4-[[(1-methyl-4-nitro-2-imidazolyl)-oxomethyl]amino]-2-imidazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]imidazole-2-carboxamide Traditional Name: N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]imidazole-2-carboxamide Formula: C13H14N8O4 MolecularWeight: 346.30146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NCCC#N)NC(=O)C2=NC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(N=C1C(=O)NCCC#N)NC(=O)C2=NC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N8O4/c1-19-6-8(16-10(19)12(22)15-5-3-4-14)17-13(23)11-18-9(21(24)25)7-20(11)2/h6-7H,3,5H2,1-2H3,(H,15,22)(H,17,23)