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

Systemtic Name: 4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate Openeye Name: 1-benzyl-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-1-(phenylmethyl)-2-pyrrololate IUPAC Name: 1-benzyl-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-benzyl-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=CC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=CC(=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3/c1-3-22-23(27(34)32(29-22)21-14-8-5-9-15-21)24-25(30-16-10-11-19(2)17-30)28(35)31(26(24)33)18-20-12-6-4-7-13-20/h4-17H,3,18H2,1-2H3