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

Systemtic Name: O3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(azepan-1-yl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(1-azepanyl)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(azepan-1-yl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(azepan-1-yl)-2-keto-ethyl] ester O1-methyl ester Formula: C17H20N2O7 MolecularWeight: 364.3499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H20N2O7/c1-25-16(21)12-8-13(10-14(9-12)19(23)24)17(22)26-11-15(20)18-6-4-2-3-5-7-18/h8-10H,2-7,11H2,1H3