dimethyl 2-ethenyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl 2-ethenyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 2-ethenyl-4-(3-hydroxypropyl)-1-[(5-nitro-2-furanyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-ethenyl-4-(3-hydroxypropyl)-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2-vinyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC=C(O2)[N+](=O)[O-])C=C)CCCO

Isomeric SMILES

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC=C(O2)[N+](=O)[O-])C=C)CCCO

InChI

InChI=1S/C21H24N2O8/c1-4-15-10-14(6-5-9-24)11-17(20(25)29-2)18(21(26)30-3)13-22(15)12-16-7-8-19(31-16)23(27)28/h4,7-8,10-11,13,15,24H,1,5-6,9,12H2,2-3H3