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

Systemtic Name: (4E)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-1-isobutyl-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-(2-methylpropyl)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-isobutyl-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=[N+](C=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)CC(C)C)[O-]

InChI

InChI=1S/C24H24N4O3/c1-15(2)14-27-22(29)20(21(24(27)31)26-12-10-16(3)11-13-26)19-17(4)25-28(23(19)30)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3