methyl 3-[[2-(1H-benzimidazol-3-ium-2-yl)-2-cyano-ethenyl]amino]benzoate

Systemtic Name: methyl 3-[[2-(1H-benzimidazol-3-ium-2-yl)-2-cyano-ethenyl]amino]benzoate Openeye Name: methyl 3-[[2-(1H-benzimidazol-3-ium-2-yl)-2-cyano-vinyl]amino]benzoate CAS Name: 3-[[2-(1H-benzimidazol-3-ium-2-yl)-2-cyanoethenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1H-benzimidazol-3-ium-2-yl)-2-cyanoethenyl]amino]benzoate Traditional Name: 3-[[2-(1H-benzimidazol-3-ium-2-yl)-2-cyano-vinyl]amino]benzoic acid methyl ester Formula: C18H15N4O2+ MolecularWeight: 319.3373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC=C(C#N)C2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC=C(C#N)C2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C18H14N4O2/c1-24-18(23)12-5-4-6-14(9-12)20-11-13(10-19)17-21-15-7-2-3-8-16(15)22-17/h2-9,11,20H,1H3,(H,21,22)/p+1