1-(4-methoxyphenyl)-3-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-(4-methoxyphenyl)-3-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-(4-methoxyphenyl)-3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-(4-methoxyphenyl)-3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(4-methoxyphenyl)-3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-1-(4-methoxyphenyl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C27H23N4O4+ MolecularWeight: 467.49592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O4/c1-17-8-7-15-30(16-17)24-22(21-23(28-29(2)25(21)32)18-9-5-4-6-10-18)26(33)31(27(24)34)19-11-13-20(35-3)14-12-19/h4-16H,1-3H3/p+1