(3E)-4-(1,2-Dimethyl-5-Nitro-1H-Indol-3-Yl)-3-Buten-2-One
[CAS# 133414-98-9]

Identification

• Name: (3E)-4-(1,2-Dimethyl-5-Nitro-1H-Indol-3-Yl)-3-Buten-2-One
• Synonyms: 4-(1,2-dimethyl-5-nitro-1H-indol-3-yl)-3-buten-2-one; 4-{5-nitro-1,2-dimethyl-1H-indol-3-yl}-3-buten-2-one
• Molecular Formula: C₁₄H₁₄N₂O₃
• Molecular Weight: 258.27
• CAS Registry Number: 133414-98-9
• SMILES: [O-][N+](=O)c1cc2c(cc1)n(c(c2\C=C\C(=O)C)C)C
• InChI: 1S/C14H14N2O3/c1-9(17)4-6-12-10(2)15(3)14-7-5-11(16(18)19)8-13(12)14/h4-8H,1-3H3/b6-4+
• InChIKey: XLVIGEBFCJZSCX-GQCTYLIASA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 471.932°C at 760 mmHg (Cal.)
• Flash point: 239.216°C (Cal.)
• Refractive index: 1.594 (Cal.)