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

Systemtic Name: 5-(3-nitrophenyl)carbonyl-2-(3-oxidanylpropyl)isoindole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-(3-hydroxypropyl)-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCO

InChI

InChI=1S/C18H14N2O6/c21-8-2-7-19-17(23)14-6-5-12(10-15(14)18(19)24)16(22)11-3-1-4-13(9-11)20(25)26/h1,3-6,9-10,21H,2,7-8H2