[2-morpholin-4-yl-3-oxidanylidene-3-(pentylamino)propyl] 4-nitrobenzoate

Systemtic Name: [2-morpholin-4-yl-3-oxidanylidene-3-(pentylamino)propyl] 4-nitrobenzoate Openeye Name: [2-morpholino-3-oxo-3-(pentylamino)propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-morpholinyl)-3-oxo-3-(pentylamino)propyl] ester IUPAC Name: [2-morpholin-4-yl-3-oxo-3-(pentylamino)propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(amylamino)-3-keto-2-morpholino-propyl] ester Formula: C19H27N3O6 MolecularWeight: 393.43418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CCCCCNC(=O)C(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C19H27N3O6/c1-2-3-4-9-20-18(23)17(21-10-12-27-13-11-21)14-28-19(24)15-5-7-16(8-6-15)22(25)26/h5-8,17H,2-4,9-14H2,1H3,(H,20,23)