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

Systemtic Name: (4E)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-(2-methylpropyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1-isobutyl-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-(2-methylpropyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-1-(2-methylpropyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-1-isobutyl-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3/c1-5-19-20(24(31)29(26-19)18-11-7-6-8-12-18)21-22(27-13-9-10-17(4)15-27)25(32)28(23(21)30)14-16(2)3/h6-13,15-16H,5,14H2,1-4H3