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

Systemtic Name: N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-imidazol-2-yl)carbonylamino]imidazol-2-yl]carbonylamino]imidazole-2-carboxamide Openeye Name: N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]imidazole-2-carboxamide CAS Name: N-(2-cyanoethyl)-1-methyl-4-[[[1-methyl-4-[[(1-methyl-4-nitro-2-imidazolyl)-oxomethyl]amino]-2-imidazolyl]-oxomethyl]amino]-2-imidazolecarboxamide IUPAC Name: N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]imidazole-2-carboxamide Traditional Name: N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]imidazole-2-carboxamide Formula: C18H19N11O5 MolecularWeight: 469.41416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)NCCC#N)NC(=O)C2=NC(=CN2C)NC(=O)C3=NC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(N=C1C(=O)NCCC#N)NC(=O)C2=NC(=CN2C)NC(=O)C3=NC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N11O5/c1-26-7-10(21-13(26)16(30)20-6-4-5-19)23-17(31)14-22-11(8-27(14)2)24-18(32)15-25-12(29(33)34)9-28(15)3/h7-9H,4,6H2,1-3H3,(H,20,30)(H,23,31)(H,24,32)