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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-4-(4-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C27H21N4O5+ MolecularWeight: 481.47944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C5=C(NN(C5=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C5=C(NN(C5=O)C6=CC=CC=C6)C

InChI

InChI=1S/C27H20N4O5/c1-16-10-12-29(13-11-16)24-23(22-17(2)28-31(26(22)33)18-6-4-3-5-7-18)25(32)30(27(24)34)19-8-9-20-21(14-19)36-15-35-20/h3-14H,15H2,1-2H3/p+1