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

Systemtic Name: (4E)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-(2-methylpropyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-isobutyl-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-(2-methylpropyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1-(2-methylpropyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-isobutyl-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3/c1-15(2)14-26-21(28)19(20(23(26)30)25-12-8-5-9-13-25)18-16(3)24-27(22(18)29)17-10-6-4-7-11-17/h4-13,15H,14H2,1-3H3