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

Systemtic Name: [4-[2-[[3-methyl-3-(2-methylphenoxy)-2-oxidanyl-butan-2-yl]amino]ethylamino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[2-[[1-hydroxy-1,2-dimethyl-2-(2-methylphenoxy)propyl]amino]ethylamino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[2-[[2-hydroxy-3-methyl-3-(2-methylphenoxy)butan-2-yl]amino]ethylamino]-4-oxobutyl] ester IUPAC Name: [4-[2-[[2-hydroxy-3-methyl-3-(2-methylphenoxy)butan-2-yl]amino]ethylamino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[2-[[1-hydroxy-1,2-dimethyl-2-(2-methylphenoxy)propyl]amino]ethylamino]-4-keto-butyl] ester Formula: C18H29N3O6 MolecularWeight: 383.43936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C)(C)C(C)(NCCNC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1OC(C)(C)C(C)(NCCNC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C18H29N3O6/c1-14-8-5-6-9-15(14)27-17(2,3)18(4,23)20-12-11-19-16(22)10-7-13-26-21(24)25/h5-6,8-9,20,23H,7,10-13H2,1-4H3,(H,19,22)