[2,3,6-trimethyl-4-[2-nitrooxy-3-(propan-2-ylamino)propoxy]phenyl] ethanoate

Systemtic Name: [2,3,6-trimethyl-4-[2-nitrooxy-3-(propan-2-ylamino)propoxy]phenyl] ethanoate Openeye Name: [4-[3-(isopropylamino)-2-nitrooxy-propoxy]-2,3,6-trimethyl-phenyl] acetate CAS Name: acetic acid [2,3,6-trimethyl-4-[2-nitrooxy-3-(propan-2-ylamino)propoxy]phenyl] ester IUPAC Name: [2,3,6-trimethyl-4-[2-nitrooxy-3-(propan-2-ylamino)propoxy]phenyl] acetate Traditional Name: acetic acid [4-[3-(isopropylamino)-2-nitrooxy-propoxy]-2,3,6-trimethyl-phenyl] ester Formula: C17H26N2O6 MolecularWeight: 354.39814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O[N+](=O)[O-]

InChI

InChI=1S/C17H26N2O6/c1-10(2)18-8-15(25-19(21)22)9-23-16-7-11(3)17(24-14(6)20)13(5)12(16)4/h7,10,15,18H,8-9H2,1-6H3