4-({[(2-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 532940-59-3]

Identification

• Name: 4-({[(2-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₆H₁₃N₃O₆S
• Molecular Weight: 375.36
• CAS Registry Number: 532940-59-3
• SMILES: O=C(O)c1ccc(cc1)NC(=S)NC(=O)COc2ccccc2[N+]([O-])=O
• InChI: 1S/C16H13N3O6S/c20-14(9-25-13-4-2-1-3-12(13)19(23)24)18-16(26)17-11-7-5-10(6-8-11)15(21)22/h1-8H,9H2,(H,21,22)(H2,17,18,20,26)
• InChIKey: PVKXLKNWHKSOBR-UHFFFAOYSA-N

Properties

• Density: 1.528g/cm³ (Cal.)
• Refractive index: 1.708 (Cal.)