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

Systemtic Name: [5-[2-[[3-methyl-2-oxidanyl-3-(2-prop-2-enoxyphenoxy)butan-2-yl]amino]ethylamino]-5-oxidanylidene-pentyl] nitrate Openeye Name: [5-[2-[[2-(2-allyloxyphenoxy)-1-hydroxy-1,2-dimethyl-propyl]amino]ethylamino]-5-oxo-pentyl] nitrate CAS Name: nitric acid [5-[2-[[2-hydroxy-3-methyl-3-(2-prop-2-enoxyphenoxy)butan-2-yl]amino]ethylamino]-5-oxopentyl] ester IUPAC Name: [5-[2-[[2-hydroxy-3-methyl-3-(2-prop-2-enoxyphenoxy)butan-2-yl]amino]ethylamino]-5-oxopentyl] nitrate Traditional Name: nitric acid [5-[2-[[2-(2-allyloxyphenoxy)-1-hydroxy-1,2-dimethyl-propyl]amino]ethylamino]-5-keto-pentyl] ester Formula: C21H33N3O7 MolecularWeight: 439.50262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(NCCNC(=O)CCCCO[N+](=O)[O-])O)OC1=CC=CC=C1OCC=C

Isomeric SMILES

CC(C)(C(C)(NCCNC(=O)CCCCO[N+](=O)[O-])O)OC1=CC=CC=C1OCC=C

InChI

InChI=1S/C21H33N3O7/c1-5-15-29-17-10-6-7-11-18(17)31-20(2,3)21(4,26)23-14-13-22-19(25)12-8-9-16-30-24(27)28/h5-7,10-11,23,26H,1,8-9,12-16H2,2-4H3,(H,22,25)