[5-[3-(tert-butylamino)-2-oxidanyl-propyl]-2-oxidanyl-phenyl] 4-nitrooxybutanoate

Systemtic Name: [5-[3-(tert-butylamino)-2-oxidanyl-propyl]-2-oxidanyl-phenyl] 4-nitrooxybutanoate Openeye Name: [5-[3-(tert-butylamino)-2-hydroxy-propyl]-2-hydroxy-phenyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [5-[3-(tert-butylamino)-2-hydroxypropyl]-2-hydroxyphenyl] ester IUPAC Name: [5-[3-(tert-butylamino)-2-hydroxypropyl]-2-hydroxyphenyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [5-[3-(tert-butylamino)-2-hydroxy-propyl]-2-hydroxy-phenyl] ester Formula: C17H26N2O7 MolecularWeight: 370.39754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CC1=CC(=C(C=C1)O)OC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)NCC(CC1=CC(=C(C=C1)O)OC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C17H26N2O7/c1-17(2,3)18-11-13(20)9-12-6-7-14(21)15(10-12)26-16(22)5-4-8-25-19(23)24/h6-7,10,13,18,20-21H,4-5,8-9,11H2,1-3H3