[5-[2-[[3-(2-cyanophenoxy)-3-methyl-2-oxidanyl-butan-2-yl]amino]ethylamino]-5-oxidanylidene-pentyl] nitrate

Systemtic Name: [5-[2-[[3-(2-cyanophenoxy)-3-methyl-2-oxidanyl-butan-2-yl]amino]ethylamino]-5-oxidanylidene-pentyl] nitrate Openeye Name: [5-[2-[[2-(2-cyanophenoxy)-1-hydroxy-1,2-dimethyl-propyl]amino]ethylamino]-5-oxo-pentyl] nitrate CAS Name: nitric acid [5-[2-[[3-(2-cyanophenoxy)-2-hydroxy-3-methylbutan-2-yl]amino]ethylamino]-5-oxopentyl] ester IUPAC Name: [5-[2-[[3-(2-cyanophenoxy)-2-hydroxy-3-methylbutan-2-yl]amino]ethylamino]-5-oxopentyl] nitrate Traditional Name: nitric acid [5-[2-[[2-(2-cyanophenoxy)-1-hydroxy-1,2-dimethyl-propyl]amino]ethylamino]-5-keto-pentyl] ester Formula: C19H28N4O6 MolecularWeight: 408.44882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(NCCNC(=O)CCCCO[N+](=O)[O-])O)OC1=CC=CC=C1C#N

Isomeric SMILES

CC(C)(C(C)(NCCNC(=O)CCCCO[N+](=O)[O-])O)OC1=CC=CC=C1C#N

InChI

InChI=1S/C19H28N4O6/c1-18(2,29-16-9-5-4-8-15(16)14-20)19(3,25)22-12-11-21-17(24)10-6-7-13-28-23(26)27/h4-5,8-9,22,25H,6-7,10-13H2,1-3H3,(H,21,24)