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

Systemtic Name: (4E)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-(4-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-(p-tolyl)pyrrol-2-olate CAS Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-(4-methylphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1-(4-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-5-keto-4-(5-keto-3-methyl-1-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)C4=CC=CC=C4)C)C2=O)[N+]5=CC=CC(=C5)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(/C(=C\3/C(=NN(C3=O)C4=CC=CC=C4)C)/C2=O)[N+]5=CC=CC(=C5)C)[O-]

InChI

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