1-methyl-N-[3-[(1-methyl-4-nitro-imidazol-2-yl)carbonylamino]propyl]-4-nitro-imidazole-2-carboxamide

Systemtic Name: 1-methyl-N-[3-[(1-methyl-4-nitro-imidazol-2-yl)carbonylamino]propyl]-4-nitro-imidazole-2-carboxamide Openeye Name: 1-methyl-N-[3-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]propyl]-4-nitro-imidazole-2-carboxamide CAS Name: 1-methyl-N-[3-[[(1-methyl-4-nitro-2-imidazolyl)-oxomethyl]amino]propyl]-4-nitro-2-imidazolecarboxamide IUPAC Name: 1-methyl-N-[3-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]propyl]-4-nitroimidazole-2-carboxamide Traditional Name: 1-methyl-N-[3-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]propyl]-4-nitro-imidazole-2-carboxamide Formula: C13H16N8O6 MolecularWeight: 380.31614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N8O6/c1-18-6-8(20(24)25)16-10(18)12(22)14-4-3-5-15-13(23)11-17-9(21(26)27)7-19(11)2/h6-7H,3-5H2,1-2H3,(H,14,22)(H,15,23)