[4-[(1-azanyl-4,4-dimethyl-2-oxidanyl-1-phenoxy-hex-5-ynyl)amino]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[(1-azanyl-4,4-dimethyl-2-oxidanyl-1-phenoxy-hex-5-ynyl)amino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[(1-amino-2-hydroxy-4,4-dimethyl-1-phenoxy-hex-5-ynyl)amino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[(1-amino-2-hydroxy-4,4-dimethyl-1-phenoxyhex-5-ynyl)amino]-4-oxobutyl] ester IUPAC Name: [4-[(1-amino-2-hydroxy-4,4-dimethyl-1-phenoxyhex-5-ynyl)amino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[(1-amino-2-hydroxy-4,4-dimethyl-1-phenoxy-hex-5-ynyl)amino]-4-keto-butyl] ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6/c1-4-17(2,3)13-15(22)18(19,27-14-9-6-5-7-10-14)20-16(23)11-8-12-26-21(24)25/h1,5-7,9-10,15,22H,8,11-13,19H2,2-3H3,(H,20,23)