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

Systemtic Name: 1-methyl-N-[4-[(1-methyl-4-nitro-imidazol-2-yl)carbonylamino]butyl]-4-nitro-imidazole-2-carboxamide Openeye Name: 1-methyl-N-[4-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]butyl]-4-nitro-imidazole-2-carboxamide CAS Name: 1-methyl-N-[4-[[(1-methyl-4-nitro-2-imidazolyl)-oxomethyl]amino]butyl]-4-nitro-2-imidazolecarboxamide IUPAC Name: 1-methyl-N-[4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]butyl]-4-nitroimidazole-2-carboxamide Traditional Name: 1-methyl-N-[4-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]butyl]-4-nitro-imidazole-2-carboxamide Formula: C14H18N8O6 MolecularWeight: 394.34272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N8O6/c1-19-7-9(21(25)26)17-11(19)13(23)15-5-3-4-6-16-14(24)12-18-10(22(27)28)8-20(12)2/h7-8H,3-6H2,1-2H3,(H,15,23)(H,16,24)