dimethyl 4-[4-(hydroxymethyl)phenyl]-2-methyl-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl 4-[4-(hydroxymethyl)phenyl]-2-methyl-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 4-[4-(hydroxymethyl)phenyl]-2-methyl-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylate CAS Name: 4-[4-(hydroxymethyl)phenyl]-2-methyl-1-[(5-nitro-2-furanyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-(hydroxymethyl)phenyl]-2-methyl-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 2-methyl-4-(4-methylolphenyl)-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C24H24N2O8 MolecularWeight: 468.45596

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(C(=CN1CC2=CC=C(O2)[N+](=O)[O-])C(=O)OC)C(=O)OC)C3=CC=C(C=C3)CO

Isomeric SMILES

CC1C=C(C=C(C(=CN1CC2=CC=C(O2)[N+](=O)[O-])C(=O)OC)C(=O)OC)C3=CC=C(C=C3)CO

InChI

InChI=1S/C24H24N2O8/c1-15-10-18(17-6-4-16(14-27)5-7-17)11-20(23(28)32-2)21(24(29)33-3)13-25(15)12-19-8-9-22(34-19)26(30)31/h4-11,13,15,27H,12,14H2,1-3H3