(4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-propyl-pyrrol-2-olate

Systemtic Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: (4E)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxo-1-propylpyrrol-2-olate Traditional Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-propyl-2-pyrrolin-2-olate Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC=CC=C3)CC)C1=O)[N+]4=CC(=CC(=C4)C)C)[O-]

Isomeric SMILES

CCCN1C(=C(/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)CC)/C1=O)[N+]4=CC(=CC(=C4)C)C)[O-]

InChI

InChI=1S/C25H26N4O3/c1-5-12-28-23(30)21(22(25(28)32)27-14-16(3)13-17(4)15-27)20-19(6-2)26-29(24(20)31)18-10-8-7-9-11-18/h7-11,13-15H,5-6,12H2,1-4H3