[3-(3-nitrooxypropyl)phenyl] 2-azanyl-3-sulfanyl-propanoate

Systemtic Name: [3-(3-nitrooxypropyl)phenyl] 2-azanyl-3-sulfanyl-propanoate Openeye Name: [3-(3-nitrooxypropyl)phenyl] 2-amino-3-sulfanyl-propanoate CAS Name: 2-amino-3-mercaptopropanoic acid [3-(3-nitrooxypropyl)phenyl] ester IUPAC Name: [3-(3-nitrooxypropyl)phenyl] 2-amino-3-sulfanylpropanoate Traditional Name: 2-amino-3-mercapto-propionic acid [3-(3-nitrooxypropyl)phenyl] ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c13-11(8-20)12(15)19-10-5-1-3-9(7-10)4-2-6-18-14(16)17/h1,3,5,7,11,20H,2,4,6,8,13H2