1-[(3-azanyl-6,6-dimethyl-4-oxidanyl-3-phenoxy-oct-7-ynoyl)amino]propan-2-yl nitrate

Systemtic Name: 1-[(3-azanyl-6,6-dimethyl-4-oxidanyl-3-phenoxy-oct-7-ynoyl)amino]propan-2-yl nitrate Openeye Name: [2-[(3-amino-4-hydroxy-6,6-dimethyl-3-phenoxy-oct-7-ynoyl)amino]-1-methyl-ethyl] nitrate CAS Name: nitric acid 1-[(3-amino-4-hydroxy-6,6-dimethyl-1-oxo-3-phenoxyoct-7-ynyl)amino]propan-2-yl ester IUPAC Name: 1-[(3-amino-4-hydroxy-6,6-dimethyl-3-phenoxyoct-7-ynoyl)amino]propan-2-yl nitrate Traditional Name: nitric acid [2-[(3-amino-4-hydroxy-6,6-dimethyl-3-phenoxy-oct-7-ynoyl)amino]-1-methyl-ethyl] ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CC(C(CC(C)(C)C#C)O)(N)OC1=CC=CC=C1)O[N+](=O)[O-]

Isomeric SMILES

CC(CNC(=O)CC(C(CC(C)(C)C#C)O)(N)OC1=CC=CC=C1)O[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6/c1-5-18(3,4)11-16(23)19(20,27-15-9-7-6-8-10-15)12-17(24)21-13-14(2)28-22(25)26/h1,6-10,14,16,23H,11-13,20H2,2-4H3,(H,21,24)