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

Systemtic Name: (4E)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate Openeye Name: (4E)-1-benzyl-4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-1-(phenylmethyl)-2-pyrrololate IUPAC Name: (4E)-1-benzyl-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-benzyl-5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)CC5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C)C4=CC=CC=C4)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H22N4O3/c1-18-10-9-15-30(16-18)24-22(26(33)31(27(24)34)17-19-11-5-3-6-12-19)21-23(28-29(2)25(21)32)20-13-7-4-8-14-20/h3-16H,17H2,1-2H3