(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[(3-nitrophenyl)amino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

Systemtic Name: (5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-[(3-nitrophenyl)amino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one CAS Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one Formula: C27H24N2O9 MolecularWeight: 520.48746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O9/c1-34-21-6-13(7-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-27(31)24(18)23)28-14-4-3-5-15(8-14)29(32)33/h3-10,18,23-25,28,30H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1