4-(4-chlorophenyl)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-2-oxidanylidene-1-phenethyl-3,4-dihydropyridin-6-olate

Systemtic Name: 4-(4-chlorophenyl)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-2-oxidanylidene-1-phenethyl-3,4-dihydropyridin-6-olate Openeye Name: 4-(4-chlorophenyl)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-2-oxo-1-phenethyl-3,4-dihydropyridin-6-olate CAS Name: 4-(4-chlorophenyl)-5-cyano-3-(3-methyl-1-pyridin-1-iumyl)-2-oxo-1-phenethyl-3,4-dihydropyridin-6-olate IUPAC Name: 4-(4-chlorophenyl)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-2-oxo-1-phenethyl-3,4-dihydropyridin-6-olate Traditional Name: 4-(4-chlorophenyl)-5-cyano-2-keto-3-(3-methylpyridin-1-ium-1-yl)-1-phenethyl-3,4-dihydropyridin-6-olate Formula: C26H22ClN3O2 MolecularWeight: 443.92478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(N(C2=O)CCC3=CC=CC=C3)[O-])C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C2C(C(=C(N(C2=O)CCC3=CC=CC=C3)[O-])C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O2/c1-18-6-5-14-29(17-18)24-23(20-9-11-21(27)12-10-20)22(16-28)25(31)30(26(24)32)15-13-19-7-3-2-4-8-19/h2-12,14,17,23-24H,13,15H2,1H3