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

Systemtic Name: (1E)-1-[1-azanyl-3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea Openeye Name: (E)-[1-amino-3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea CAS Name: (E)-[1-amino-3-[2-(1-methyl-4-nitro-2-pyrrolyl)-3H-benzimidazol-5-yl]propylidene]urea IUPAC Name: (E)-[1-amino-3-[2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea Traditional Name: (E)-[1-amino-3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propylidene]urea Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O3/c1-22-8-10(23(25)26)7-13(22)15-19-11-4-2-9(6-12(11)20-15)3-5-14(17)21-16(18)24/h2,4,6-8H,3,5H2,1H3,(H,19,20)(H4,17,18,21,24)