4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-nitro-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-methoxy-5-nitro-4-piperonyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C25H19N3O8 MolecularWeight: 489.43366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])C=C4C(=O)NN(C4=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])C=C4C(=O)NN(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O8/c1-33-22-12-16(9-18-24(29)26-27(25(18)30)17-5-3-2-4-6-17)10-19(28(31)32)23(22)34-13-15-7-8-20-21(11-15)36-14-35-20/h2-12H,13-14H2,1H3,(H,26,29)