N-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide

Base Information

• Chemical Name: N-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
• CAS No.: 5679-41-4
• Molecular Formula: C24H21N3O7
• Molecular Weight: 463.4394
• DSSTox Substance ID: DTXSID80416600
• Wikidata: Q82225975
• ChEMBL ID: CHEMBL1447434

Synonyms:MLS000579221;5679-41-4;N-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide;CHEMBL1447434;DTXSID80416600;HMS2546B24;SMR000186808;N-(2-(4,5-dimethoxy-2-nitrophenyl)-1-{[(4-hydroxyphenyl)amino]carbonyl}vinyl)benzamide

Chemical Property of N-[(E)-1-(4,5-dimethoxy-2-nitrophenyl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide

Chemical Property:

• Vapor Pressure: 4.99E-28mmHg at 25°C
• Boiling Point: 819.9°Cat760mmHg
• Flash Point: 449.7°C
• Density: 1.386g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 463.13795002
• Heavy Atom Count: 34
• Complexity: 739

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C=C(C(=O)NC2=CC=C(C=C2)O)NC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC
• Isomeric SMILES: COC1=C(C=C(C(=C1)/C=C(\C(=O)NC2=CC=C(C=C2)O)/NC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC

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