dimethyl (6Z)-1-(2-nitrophenyl)sulfonyl-2,3,5,8-tetrahydroazocine-4,4-dicarboxylate

Systemtic Name: dimethyl (6Z)-1-(2-nitrophenyl)sulfonyl-2,3,5,8-tetrahydroazocine-4,4-dicarboxylate Openeye Name: dimethyl (6Z)-1-(2-nitrophenyl)sulfonyl-2,3,5,8-tetrahydroazocine-4,4-dicarboxylate CAS Name: (6Z)-1-(2-nitrophenyl)sulfonyl-2,3,5,8-tetrahydroazocine-4,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (6Z)-1-(2-nitrophenyl)sulfonyl-2,3,5,8-tetrahydroazocine-4,4-dicarboxylate Traditional Name: (6Z)-1-(2-nitrophenyl)sulfonyl-2,3,5,8-tetrahydroazocine-4,4-dicarboxylic acid dimethyl ester Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC=CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1(CCN(C/C=C\C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H20N2O8S/c1-26-15(20)17(16(21)27-2)9-5-6-11-18(12-10-17)28(24,25)14-8-4-3-7-13(14)19(22)23/h3-8H,9-12H2,1-2H3/b6-5-