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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C29H25N4O5+ MolecularWeight: 509.5326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N4O5/c1-17(2)25-23(28(35)33(30-25)19-9-5-4-6-10-19)24-26(31-13-7-8-18(3)15-31)29(36)32(27(24)34)20-11-12-21-22(14-20)38-16-37-21/h4-15,17H,16H2,1-3H3/p+1