[5-oxidanylidene-5-[1-[[3-oxidanyl-2-(2-prop-2-enoxyphenoxy)pentan-3-yl]amino]ethylamino]pentyl] nitrate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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