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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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