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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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