2-(1,3-benzodioxol-5-ylmethyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 5-(3-nitrobenzoyl)-2-piperonyl-isoindoline-1,3-quinone Formula: C23H14N2O7 MolecularWeight: 430.36646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H14N2O7/c26-21(14-2-1-3-16(9-14)25(29)30)15-5-6-17-18(10-15)23(28)24(22(17)27)11-13-4-7-19-20(8-13)32-12-31-19/h1-10H,11-12H2