2-[3-(4-nitrophenoxy)-2-oxidanyl-propoxy]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-nitrophenoxy)-2-oxidanyl-propoxy]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propoxy]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propoxy]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propoxy]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(4-nitrophenoxy)propoxy]isoindoline-1,3-quinone Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)OCC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)OCC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N2O7/c20-12(9-25-13-7-5-11(6-8-13)19(23)24)10-26-18-16(21)14-3-1-2-4-15(14)17(18)22/h1-8,12,20H,9-10H2