[1-[4-(butanoylamino)-2-ethanoyl-phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [1-[4-(butanoylamino)-2-ethanoyl-phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-[[2-acetyl-4-(butanoylamino)phenoxy]methyl]-2-(isopropylamino)ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-[2-acetyl-4-(1-oxobutylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-[2-acetyl-4-(butanoylamino)phenoxy]-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-[(2-acetyl-4-butyramido-phenoxy)methyl]-2-(isopropylamino)ethyl] ester Formula: C22H33N3O8 MolecularWeight: 467.51272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)OC(=O)CCCO[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)OC(=O)CCCO[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C22H33N3O8/c1-5-7-21(27)24-17-9-10-20(19(12-17)16(4)26)31-14-18(13-23-15(2)3)33-22(28)8-6-11-32-25(29)30/h9-10,12,15,18,23H,5-8,11,13-14H2,1-4H3,(H,24,27)