O3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(1-azepanyl)-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[1-(azepan-1-yl)-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C18H22N2O7 MolecularWeight: 378.37648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O7/c1-12(16(21)19-7-5-3-4-6-8-19)27-18(23)14-9-13(17(22)26-2)10-15(11-14)20(24)25/h9-12H,3-8H2,1-2H3