4-Nitrobenzyl (6S,7S)-7-Amino-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 29124-83-2]

Identification

• Name: 4-Nitrobenzyl (6S,7S)-7-Amino-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: p-nitrobenzyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• Molecular Formula: C₁₅H₁₅N₃O₅S
• Molecular Weight: 349.36
• CAS Registry Number: 29124-83-2
• EINECS: 249-454-3
• SMILES: CC=2CS[C@H]1[C@@H](N)C(=O)N1C=2C(=O)OCc3ccc(cc3)[N+]([O-])=O
• InChI: 1S/C15H15N3O5S/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/t11-,14-/m0/s1
• InChIKey: ABTUPEBOWRKQLD-FZMZJTMJSA-N

Properties

• Density: 1.519g/cm³ (Cal.)
• Boiling point: 612.825°C at 760 mmHg (Cal.)
• Flash point: 324.425°C (Cal.)
• Refractive index: 1.683 (Cal.)