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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)CC(C)C)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)CC(C)C)[O-]

InChI

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