N-[(E)-1-(1H-benzimidazol-3-ium-2-yl)propan-2-ylideneamino]-4-nitro-aniline chloride

Systemtic Name: N-[(E)-1-(1H-benzimidazol-3-ium-2-yl)propan-2-ylideneamino]-4-nitro-aniline chloride Openeye Name: N-[(E)-[2-(1H-benzimidazol-3-ium-2-yl)-1-methyl-ethylidene]amino]-4-nitro-aniline chloride CAS Name: N-[(E)-1-(1H-benzimidazol-3-ium-2-yl)propan-2-ylideneamino]-4-nitroaniline chloride IUPAC Name: N-[(E)-1-(1H-benzimidazol-3-ium-2-yl)propan-2-ylideneamino]-4-nitroaniline chloride Traditional Name: [(E)-[2-(1H-benzimidazol-3-ium-2-yl)-1-methyl-ethylidene]amino]-(4-nitrophenyl)amine chloride Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])CC2=[NH+]C3=CC=CC=C3N2.[Cl-]

Isomeric SMILES

C/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/CC2=[NH+]C3=CC=CC=C3N2.[Cl-]

InChI

InChI=1S/C16H15N5O2.ClH/c1-11(10-16-17-14-4-2-3-5-15(14)18-16)19-20-12-6-8-13(9-7-12)21(22)23;/h2-9,20H,10H2,1H3,(H,17,18);1H/b19-11+;