dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C25H22BrNO7 MolecularWeight: 528.34868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC4=C(C=C3Br)OCO4)C=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC4=C(C=C3Br)OCO4)C=C

InChI

InChI=1S/C25H22BrNO7/c1-4-21-17-9-16(28)6-5-14(17)7-18(24(29)31-2)19(25(30)32-3)12-27(21)11-15-8-22-23(10-20(15)26)34-13-33-22/h4-10,12,21,28H,1,11,13H2,2-3H3