6,7-dimethoxy-2-(5-nitro-2-oxidanyl-phenyl)-3-oxidanyl-3H-isoindol-1-one

Systemtic Name: 6,7-dimethoxy-2-(5-nitro-2-oxidanyl-phenyl)-3-oxidanyl-3H-isoindol-1-one Openeye Name: 3-hydroxy-2-(2-hydroxy-5-nitro-phenyl)-6,7-dimethoxy-isoindolin-1-one CAS Name: 3-hydroxy-2-(2-hydroxy-5-nitrophenyl)-6,7-dimethoxy-3H-isoindol-1-one IUPAC Name: 3-hydroxy-2-(2-hydroxy-5-nitrophenyl)-6,7-dimethoxy-3H-isoindol-1-one Traditional Name: 3-hydroxy-2-(2-hydroxy-5-nitro-phenyl)-6,7-dimethoxy-isoindolin-1-one Formula: C16H14N2O7 MolecularWeight: 346.29156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)O)OC

InChI

InChI=1S/C16H14N2O7/c1-24-12-6-4-9-13(14(12)25-2)16(21)17(15(9)20)10-7-8(18(22)23)3-5-11(10)19/h3-7,15,19-20H,1-2H3