(Z)-2-[2,5-dimethyl-4-(4-methyl-3-nitro-phenyl)pyridin-1-ium-1-yl]-1-phenyl-ethenolate

Systemtic Name: (Z)-2-[2,5-dimethyl-4-(4-methyl-3-nitro-phenyl)pyridin-1-ium-1-yl]-1-phenyl-ethenolate Openeye Name: (Z)-2-[2,5-dimethyl-4-(4-methyl-3-nitro-phenyl)pyridin-1-ium-1-yl]-1-phenyl-ethenolate CAS Name: (Z)-2-[2,5-dimethyl-4-(4-methyl-3-nitrophenyl)-1-pyridin-1-iumyl]-1-phenylethenolate IUPAC Name: (Z)-2-[2,5-dimethyl-4-(4-methyl-3-nitrophenyl)pyridin-1-ium-1-yl]-1-phenylethenolate Traditional Name: (Z)-2-[2,5-dimethyl-4-(4-methyl-3-nitro-phenyl)pyridin-1-ium-1-yl]-1-phenyl-ethenolate Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=[N+](C=C2C)/C=C(/C3=CC=CC=C3)\[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O3/c1-15-9-10-19(12-21(15)24(26)27)20-11-17(3)23(13-16(20)2)14-22(25)18-7-5-4-6-8-18/h4-14H,1-3H3/b22-14-