(1Z)-1-(4-chlorophenyl)-4,4-dicyano-2-(3-methylpyridin-1-ium-1-yl)buta-1,3-dien-1-olate

Systemtic Name: (1Z)-1-(4-chlorophenyl)-4,4-dicyano-2-(3-methylpyridin-1-ium-1-yl)buta-1,3-dien-1-olate Openeye Name: (1Z)-1-(4-chlorophenyl)-4,4-dicyano-2-(3-methylpyridin-1-ium-1-yl)buta-1,3-dien-1-olate CAS Name: (1Z)-1-(4-chlorophenyl)-4,4-dicyano-2-(3-methyl-1-pyridin-1-iumyl)-1-buta-1,3-dienolate IUPAC Name: (1Z)-1-(4-chlorophenyl)-4,4-dicyano-2-(3-methylpyridin-1-ium-1-yl)buta-1,3-dien-1-olate Traditional Name: (1Z)-1-(4-chlorophenyl)-4,4-dicyano-2-(3-methylpyridin-1-ium-1-yl)buta-1,3-dien-1-olate Formula: C18H12ClN3O MolecularWeight: 321.76038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(C=C2)Cl)[O-])C=C(C#N)C#N

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(/C2=CC=C(C=C2)Cl)\[O-])/C=C(C#N)C#N

InChI

InChI=1S/C18H12ClN3O/c1-13-3-2-8-22(12-13)17(9-14(10-20)11-21)18(23)15-4-6-16(19)7-5-15/h2-9,12H,1H3/b18-17-