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

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

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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=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC\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/C25H26N4O3/c1-4-11-19-20(24(31)29(26-19)18-12-7-5-8-13-18)21-22(27-14-9-6-10-15-27)25(32)28(23(21)30)16-17(2)3/h5-10,12-15,17H,4,11,16H2,1-3H3