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

Systemtic Name: dimethyl 2-ethenyl-4-[4-(hydroxymethyl)phenyl]-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 4-[4-(hydroxymethyl)phenyl]-1-[(5-nitro-2-furyl)methyl]-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 2-ethenyl-4-[4-(hydroxymethyl)phenyl]-1-[(5-nitro-2-furanyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-ethenyl-4-[4-(hydroxymethyl)phenyl]-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(4-methylolphenyl)-1-[(5-nitro-2-furyl)methyl]-2-vinyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C25H24N2O8 MolecularWeight: 480.46666

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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)C3=CC=C(C=C3)CO

Isomeric SMILES

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC=C(O2)[N+](=O)[O-])C=C)C3=CC=C(C=C3)CO

InChI

InChI=1S/C25H24N2O8/c1-4-19-11-18(17-7-5-16(15-28)6-8-17)12-21(24(29)33-2)22(25(30)34-3)14-26(19)13-20-9-10-23(35-20)27(31)32/h4-12,14,19,28H,1,13,15H2,2-3H3