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

Systemtic Name: dimethyl 2-methyl-1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 4-(3-hydroxypropyl)-2-methyl-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylate CAS Name: 4-(3-hydroxypropyl)-2-methyl-1-[(5-nitro-2-furanyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-hydroxypropyl)-2-methyl-1-[(5-nitrofuran-2-yl)methyl]-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-2-methyl-1-[(5-nitro-2-furyl)methyl]-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C20H24N2O8 MolecularWeight: 420.41316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O8/c1-13-9-14(5-4-8-23)10-16(19(24)28-2)17(20(25)29-3)12-21(13)11-15-6-7-18(30-15)22(26)27/h6-7,9-10,12-13,23H,4-5,8,11H2,1-3H3