4-Nitrobenzyl (6R-trans)-7-Amino-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Monohydrochloride
[CAS# 52602-94-5]

Identification

• Name: 4-Nitrobenzyl (6R-trans)-7-Amino-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Monohydrochloride
• Synonyms: (6R,7R)-7-Amino-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (4-Nitrophenyl)Methyl Ester Hydrochloride; (6R,7R)-7-Amino-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (4-Nitrobenzyl) Ester Hydrochloride
• Molecular Formula: C₁₅H₁₆ClN₃O₅S
• Molecular Weight: 385.82
• CAS Registry Number: 52602-94-5
• EINECS: 258-035-4
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2N)C(OCC3=CC=C([N+]([O-])=O)C=C3)=O)C.[H+].[Cl-]
• InChI: 1S/C15H15N3O5S.ClH/c1-8-7-24-14-11(16)13(19)17(14)12(8)15(20)23-6-9-2-4-10(5-3-9)18(21)22;/h2-5,11,14H,6-7,16H2,1H3;1H/t11-,14-;/m1./s1
• InChIKey: BWYCVCPPLDSRIO-GBWFEORMSA-N

Properties

• Boiling point: 612.8°C at 760 mmHg (Cal.)
• Flash point: 324.4°C (Cal.)