dimethyl 1-ethenyl-2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 1-ethenyl-2-[(5-nitrofuran-2-yl)methyl]-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-ethenyl-9-hydroxy-2-[(5-nitro-2-furanyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-ethenyl-9-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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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=CC=C(O3)[N+](=O)[O-])C=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC=C(O3)[N+](=O)[O-])C=C

InChI

InChI=1S/C22H20N2O8/c1-4-19-16-10-14(25)6-5-13(16)9-17(21(26)30-2)18(22(27)31-3)12-23(19)11-15-7-8-20(32-15)24(28)29/h4-10,12,19,25H,1,11H2,2-3H3