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

Systemtic Name: [4-[2-[[3-(2-methoxyphenoxy)-3-methyl-2-oxidanyl-butan-2-yl]amino]ethylamino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[2-[[1-hydroxy-2-(2-methoxyphenoxy)-1,2-dimethyl-propyl]amino]ethylamino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[2-[[2-hydroxy-3-(2-methoxyphenoxy)-3-methylbutan-2-yl]amino]ethylamino]-4-oxobutyl] ester IUPAC Name: [4-[2-[[2-hydroxy-3-(2-methoxyphenoxy)-3-methylbutan-2-yl]amino]ethylamino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[2-[[1-hydroxy-2-(2-methoxyphenoxy)-1,2-dimethyl-propyl]amino]ethylamino]-4-keto-butyl] ester Formula: C18H29N3O7 MolecularWeight: 399.43876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(NCCNC(=O)CCCO[N+](=O)[O-])O)OC1=CC=CC=C1OC

Isomeric SMILES

CC(C)(C(C)(NCCNC(=O)CCCO[N+](=O)[O-])O)OC1=CC=CC=C1OC

InChI

InChI=1S/C18H29N3O7/c1-17(2,28-15-9-6-5-8-14(15)26-4)18(3,23)20-12-11-19-16(22)10-7-13-27-21(24)25/h5-6,8-9,20,23H,7,10-13H2,1-4H3,(H,19,22)