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

Systemtic Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-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)-1-(4-methoxyphenyl)-4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-5-oxo-2-pyrrololate IUPAC Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-5-oxopyrrol-2-olate Traditional Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-1-(4-methoxyphenyl)-2-pyrrolin-2-olate Formula: C28H24N4O4 MolecularWeight: 480.51456

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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)C5=CC=C(C=C5)OC)[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)C5=CC=C(C=C5)OC)[O-])C

InChI

InChI=1S/C28H24N4O4/c1-17-14-18(2)16-31(15-17)25-23(22-24(29-30(3)26(22)33)19-8-6-5-7-9-19)27(34)32(28(25)35)20-10-12-21(36-4)13-11-20/h5-16H,1-4H3