[3-(nitrooxymethyl)phenyl] 2-azanylpentanoate hydrochloride

Systemtic Name: [3-(nitrooxymethyl)phenyl] 2-azanylpentanoate hydrochloride Openeye Name: [3-(nitrooxymethyl)phenyl] 2-aminopentanoate hydrochloride CAS Name: 2-aminopentanoic acid [3-(nitrooxymethyl)phenyl] ester hydrochloride IUPAC Name: [3-(nitrooxymethyl)phenyl] 2-aminopentanoate hydrochloride Traditional Name: 2-aminovaleric acid [3-(nitrooxymethyl)phenyl] ester hydrochloride Formula: C12H17ClN2O5 MolecularWeight: 304.72678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC1=CC=CC(=C1)CO[N+](=O)[O-])N.Cl

Isomeric SMILES

CCCC(C(=O)OC1=CC=CC(=C1)CO[N+](=O)[O-])N.Cl

InChI

InChI=1S/C12H16N2O5.ClH/c1-2-4-11(13)12(15)19-10-6-3-5-9(7-10)8-18-14(16)17;/h3,5-7,11H,2,4,8,13H2,1H3;1H