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

Systemtic Name: 1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: 1-isobutyl-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: 1-(2-methylpropyl)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: 1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: 1-isobutyl-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-5-9-20-21(25(32)30(27-20)19-10-7-6-8-11-19)22-23(28-14-12-18(4)13-15-28)26(33)29(24(22)31)16-17(2)3/h6-8,10-15,17H,5,9,16H2,1-4H3