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

Systemtic Name: N-[1-(1H-benzimidazol-3-ium-2-yl)propan-2-ylideneamino]-4-nitro-aniline Openeye Name: N-[[2-(1H-benzimidazol-3-ium-2-yl)-1-methyl-ethylidene]amino]-4-nitro-aniline CAS Name: N-[1-(1H-benzimidazol-3-ium-2-yl)propan-2-ylideneamino]-4-nitroaniline IUPAC Name: N-[1-(1H-benzimidazol-3-ium-2-yl)propan-2-ylideneamino]-4-nitroaniline Traditional Name: [[2-(1H-benzimidazol-3-ium-2-yl)-1-methyl-ethylidene]amino]-(4-nitrophenyl)amine Formula: C16H16N5O2+ MolecularWeight: 310.33054

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2/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)/p+1