4-Methoxy-3-{[3-(3-nitrophenyl)-3-oxopropanoyl]amino}benzenesulfonic acid
[CAS# 94134-37-9]

Identification

• Name: 4-Methoxy-3-{[3-(3-nitrophenyl)-3-oxopropanoyl]amino}benzenesulfonic acid
• Synonyms: NSC111121
• Molecular Formula: C₁₆H₁₄N₂O₈S
• Molecular Weight: 394.36
• CAS Registry Number: 94134-37-9
• EINECS: 302-805-5
• SMILES: [O-][N+](=O)c1cccc(c1)C(=O)CC(=O)Nc2cc(ccc2OC)S(=O)(=O)O
• InChI: 1S/C16H14N2O8S/c1-26-15-6-5-12(27(23,24)25)8-13(15)17-16(20)9-14(19)10-3-2-4-11(7-10)18(21)22/h2-8H,9H2,1H3,(H,17,20)(H,23,24,25)
• InChIKey: GYMDXZVEVWMFOG-UHFFFAOYSA-N

Properties

• Density: 1.534g/cm³ (Cal.)