3-(dimethylamino)propyl 3-(4-nitrophenyl)-3-oxidanyl-propanoate

Systemtic Name: 3-(dimethylamino)propyl 3-(4-nitrophenyl)-3-oxidanyl-propanoate Openeye Name: 3-(dimethylamino)propyl 3-hydroxy-3-(4-nitrophenyl)propanoate CAS Name: 3-hydroxy-3-(4-nitrophenyl)propanoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 3-hydroxy-3-(4-nitrophenyl)propanoate Traditional Name: 3-hydroxy-3-(4-nitrophenyl)propionic acid 3-(dimethylamino)propyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CN(C)CCCOC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C14H20N2O5/c1-15(2)8-3-9-21-14(18)10-13(17)11-4-6-12(7-5-11)16(19)20/h4-7,13,17H,3,8-10H2,1-2H3