(2S)-2-azanyl-5-(4-nitrooxybut-2-ynoxy)-5-oxidanylidene-pentanoic acid hydrochloride

Systemtic Name: (2S)-2-azanyl-5-(4-nitrooxybut-2-ynoxy)-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: (2S)-2-amino-5-(4-nitrooxybut-2-ynoxy)-5-oxo-pentanoic acid hydrochloride CAS Name: (2S)-2-amino-5-(4-nitrooxybut-2-ynoxy)-5-oxopentanoic acid hydrochloride IUPAC Name: (2S)-2-amino-5-(4-nitrooxybut-2-ynoxy)-5-oxopentanoic acid hydrochloride Traditional Name: (2S)-2-amino-5-keto-5-(4-nitrooxybut-2-ynoxy)valeric acid hydrochloride Formula: C9H13ClN2O7 MolecularWeight: 296.66172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)OCC#CCO[N+](=O)[O-])C(C(=O)O)N.Cl

Isomeric SMILES

C(CC(=O)OCC#CCO[N+](=O)[O-])[C@@H](C(=O)O)N.Cl

InChI

InChI=1S/C9H12N2O7.ClH/c10-7(9(13)14)3-4-8(12)17-5-1-2-6-18-11(15)16;/h7H,3-6,10H2,(H,13,14);1H/t7-;/m0./s1