N-{3-Methyl-1-[(4-Nitrophenyl)Amino]-1-Oxo-2-Buten-2-Yl}Benzamide
[CAS# 397879-99-1]

Identification

• Name: N-{3-Methyl-1-[(4-Nitrophenyl)Amino]-1-Oxo-2-Buten-2-Yl}Benzamide
• Synonyms: BENZAMIDE,N-[2-METHYL-1-[[(4-NITROPHENYL)AMINO]CARBONYL]-1-PROPEN-1-YL]-
• Molecular Formula: C₁₈H₁₇N₃O₄
• Molecular Weight: 339.35
• CAS Registry Number: 397879-99-1
• SMILES: CC(=C(C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)c2ccccc2)C
• InChI: 1S/C18H17N3O4/c1-12(2)16(20-17(22)13-6-4-3-5-7-13)18(23)19-14-8-10-15(11-9-14)21(24)25/h3-11H,1-2H3,(H,19,23)(H,20,22)
• InChIKey: WZPZKVBJDOJFLG-UHFFFAOYSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 645.482°C at 760 mmHg (Cal.)
• Flash point: 344.175°C (Cal.)
• Refractive index: 1.636 (Cal.)