O4-[[5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methyl] O1-(4-nitrooxybutyl) butanedioate

Systemtic Name: O4-[[5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methyl] O1-(4-nitrooxybutyl) butanedioate Openeye Name: O4-[[5-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl]methyl] O1-(4-nitrooxybutyl) butanedioate CAS Name: butanedioic acid O4-[[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methyl] ester O1-(4-nitrooxybutyl) ester IUPAC Name: 4-O-[[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methyl] 1-O-(4-nitrooxybutyl) butanedioate Traditional Name: succinic acid O4-[5-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-hydroxy-benzyl] ester O1-(4-nitrooxybutyl) ester Formula: C21H32N2O9 MolecularWeight: 456.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C=C1)O)COC(=O)CCC(=O)OCCCCO[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C=C1)O)COC(=O)CCC(=O)OCCCCO[N+](=O)[O-])O

InChI

InChI=1S/C21H32N2O9/c1-21(2,3)22-13-18(25)15-6-7-17(24)16(12-15)14-31-20(27)9-8-19(26)30-10-4-5-11-32-23(28)29/h6-7,12,18,22,24-25H,4-5,8-11,13-14H2,1-3H3