(1E)-1-[1-azanyl-3-[2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea

Systemtic Name: (1E)-1-[1-azanyl-3-[2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea Openeye Name: (E)-[1-amino-3-[2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea CAS Name: (E)-[1-amino-3-[2-(1-methyl-4-nitro-2-imidazolyl)-3H-benzimidazol-5-yl]propylidene]urea IUPAC Name: (E)-[1-amino-3-[2-(1-methyl-4-nitroimidazol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea Traditional Name: (E)-[1-amino-3-[2-(1-methyl-4-nitro-imidazol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea Formula: C15H16N8O3 MolecularWeight: 356.33934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=NC3=C(N2)C=C(C=C3)CCC(=NC(=O)N)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(N=C1C2=NC3=C(N2)C=C(C=C3)CC/C(=N\C(=O)N)/N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N8O3/c1-22-7-12(23(25)26)21-14(22)13-18-9-4-2-8(6-10(9)19-13)3-5-11(16)20-15(17)24/h2,4,6-7H,3,5H2,1H3,(H,18,19)(H4,16,17,20,24)