4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-1-(4-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-1-(4-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-(p-tolyl)pyrrol-2-olate CAS Name: 4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-1-(4-methylphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-1-(4-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-1-(p-tolyl)-2-pyrrolin-2-olate Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=C3C(=NN(C3=O)C)C4=CC=CC=C4)C2=O)[N+]5=CC=CC(=C5)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=C3C(=NN(C3=O)C)C4=CC=CC=C4)C2=O)[N+]5=CC=CC(=C5)C)[O-]

InChI

InChI=1S/C27H22N4O3/c1-17-11-13-20(14-12-17)31-26(33)22(24(27(31)34)30-15-7-8-18(2)16-30)21-23(28-29(3)25(21)32)19-9-5-4-6-10-19/h4-16H,1-3H3