[4-[[1-(ethylamino)-3-methyl-2-oxidanyl-3-(2-prop-2-enylphenoxy)butan-2-yl]amino]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[[1-(ethylamino)-3-methyl-2-oxidanyl-3-(2-prop-2-enylphenoxy)butan-2-yl]amino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[[2-(2-allylphenoxy)-1-(ethylaminomethyl)-1-hydroxy-2-methyl-propyl]amino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[[1-(ethylamino)-2-hydroxy-3-methyl-3-(2-prop-2-enylphenoxy)butan-2-yl]amino]-4-oxobutyl] ester IUPAC Name: [4-[[1-(ethylamino)-2-hydroxy-3-methyl-3-(2-prop-2-enylphenoxy)butan-2-yl]amino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[[2-(2-allylphenoxy)-1-(ethylaminomethyl)-1-hydroxy-2-methyl-propyl]amino]-4-keto-butyl] ester Formula: C20H31N3O6 MolecularWeight: 409.47664

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(C(C)(C)OC1=CC=CC=C1CC=C)(NC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CCNCC(C(C)(C)OC1=CC=CC=C1CC=C)(NC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C20H31N3O6/c1-5-10-16-11-7-8-12-17(16)29-19(3,4)20(25,15-21-6-2)22-18(24)13-9-14-28-23(26)27/h5,7-8,11-12,21,25H,1,6,9-10,13-15H2,2-4H3,(H,22,24)