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

Systemtic Name: [4-[[3-(2-cyanophenoxy)-1-(ethylamino)-3-methyl-2-oxidanyl-butan-2-yl]amino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[[2-(2-cyanophenoxy)-1-(ethylaminomethyl)-1-hydroxy-2-methyl-propyl]amino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[[3-(2-cyanophenoxy)-1-(ethylamino)-2-hydroxy-3-methylbutan-2-yl]amino]-4-oxobutyl] ester IUPAC Name: [4-[[3-(2-cyanophenoxy)-1-(ethylamino)-2-hydroxy-3-methylbutan-2-yl]amino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[[2-(2-cyanophenoxy)-1-(ethylaminomethyl)-1-hydroxy-2-methyl-propyl]amino]-4-keto-butyl] ester Formula: C18H26N4O6 MolecularWeight: 394.42224

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(C(C)(C)OC1=CC=CC=C1C#N)(NC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CCNCC(C(C)(C)OC1=CC=CC=C1C#N)(NC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C18H26N4O6/c1-4-20-13-18(24,21-16(23)10-7-11-27-22(25)26)17(2,3)28-15-9-6-5-8-14(15)12-19/h5-6,8-9,20,24H,4,7,10-11,13H2,1-3H3,(H,21,23)