[4-[[3-(tert-butylamino)-2-oxidanyl-1-phenoxy-propyl]amino]-4-oxidanylidene-butyl] nitrate hydrochloride

Systemtic Name: [4-[[3-(tert-butylamino)-2-oxidanyl-1-phenoxy-propyl]amino]-4-oxidanylidene-butyl] nitrate hydrochloride Openeye Name: [4-[[3-(tert-butylamino)-2-hydroxy-1-phenoxy-propyl]amino]-4-oxo-butyl] nitrate hydrochloride CAS Name: nitric acid [4-[[3-(tert-butylamino)-2-hydroxy-1-phenoxypropyl]amino]-4-oxobutyl] ester hydrochloride IUPAC Name: [4-[[3-(tert-butylamino)-2-hydroxy-1-phenoxypropyl]amino]-4-oxobutyl] nitrate hydrochloride Traditional Name: nitric acid [4-[[3-(tert-butylamino)-2-hydroxy-1-phenoxy-propyl]amino]-4-keto-butyl] ester hydrochloride Formula: C17H28ClN3O6 MolecularWeight: 405.87372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C(NC(=O)CCCO[N+](=O)[O-])OC1=CC=CC=C1)O.Cl

Isomeric SMILES

CC(C)(C)NCC(C(NC(=O)CCCO[N+](=O)[O-])OC1=CC=CC=C1)O.Cl

InChI

InChI=1S/C17H27N3O6.ClH/c1-17(2,3)18-12-14(21)16(26-13-8-5-4-6-9-13)19-15(22)10-7-11-25-20(23)24;/h4-6,8-9,14,16,18,21H,7,10-12H2,1-3H3,(H,19,22);1H