[1-[tert-butyl(4-nitrooxybutanoyl)amino]-3-(2-cyclopentylphenoxy)propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [1-[tert-butyl(4-nitrooxybutanoyl)amino]-3-(2-cyclopentylphenoxy)propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-[[tert-butyl(4-nitrooxybutanoyl)amino]methyl]-2-(2-cyclopentylphenoxy)ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-[tert-butyl-(4-nitrooxy-1-oxobutyl)amino]-3-(2-cyclopentylphenoxy)propan-2-yl] ester IUPAC Name: [1-[tert-butyl(4-nitrooxybutanoyl)amino]-3-(2-cyclopentylphenoxy)propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-[[tert-butyl(4-nitrooxybutanoyl)amino]methyl]-2-(2-cyclopentylphenoxy)ethyl] ester Formula: C26H39N3O10 MolecularWeight: 553.60196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(COC1=CC=CC=C1C2CCCC2)OC(=O)CCCO[N+](=O)[O-])C(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N(CC(COC1=CC=CC=C1C2CCCC2)OC(=O)CCCO[N+](=O)[O-])C(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C26H39N3O10/c1-26(2,3)27(24(30)14-8-16-37-28(32)33)18-21(39-25(31)15-9-17-38-29(34)35)19-36-23-13-7-6-12-22(23)20-10-4-5-11-20/h6-7,12-13,20-21H,4-5,8-11,14-19H2,1-3H3