2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-oxidanyl-3-phenyl-isoindol-1-one

Systemtic Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-oxidanyl-3-phenyl-isoindol-1-one Openeye Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-hydroxy-3-phenyl-isoindolin-1-one CAS Name: 2-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-hydroxy-3-phenyl-1-isoindolone IUPAC Name: 2-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-hydroxy-3-phenylisoindol-1-one Traditional Name: 2-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-hydroxy-3-phenyl-isoindolin-1-one Formula: C24H22N2O6 MolecularWeight: 434.44128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)O)[N+](=O)[O-])OC

InChI

InChI=1S/C24H22N2O6/c1-31-21-14-16(20(26(29)30)15-22(21)32-2)12-13-25-23(27)18-10-6-7-11-19(18)24(25,28)17-8-4-3-5-9-17/h3-11,14-15,28H,12-13H2,1-2H3