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

Systemtic Name: (4E)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-(phenylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-benzyl-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-1-(phenylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-benzyl-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-benzyl-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C26H20N4O3 MolecularWeight: 436.462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O3/c1-18-21(25(32)30(27-18)20-13-7-3-8-14-20)22-23(28-15-9-4-10-16-28)26(33)29(24(22)31)17-19-11-5-2-6-12-19/h2-16H,17H2,1H3