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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethyl-1-pyridin-1-iumyl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C28H23N4O5+ MolecularWeight: 495.50602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=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

CCC1=C[N+](=CC=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/C28H22N4O5/c1-3-17-8-7-13-31(15-17)25-23(22-24(29-30(2)26(22)33)18-9-5-4-6-10-18)27(34)32(28(25)35)19-11-12-20-21(14-19)37-16-36-20/h4-15H,3,16H2,1-2H3/p+1