[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O6 MolecularWeight: 393.43418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6/c1-14(18(23)21-10-5-3-4-6-11-21)28-19(24)16-13-15(22(25)26)7-8-17(16)20-9-12-27-2/h7-8,13-14,20H,3-6,9-12H2,1-2H3