1-(1,3-benzodioxol-5-yl)-3-(2-methyl-3-oxidanylidene-5-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-(2-methyl-3-oxidanylidene-5-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-(2-methyl-3-oxo-5-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-(2-methyl-3-oxo-5-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-(2-methyl-3-oxo-5-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-1-methyl-3-phenyl-3-pyrazolin-4-yl)-4-(4-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C27H21N4O5+ MolecularWeight: 481.47944

Click to see the large picture

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)C)C6=CC=CC=C6

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)C)C6=CC=CC=C6

InChI

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