N-[(E)-1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide

Base Information

• Chemical Name: N-[(E)-1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
• CAS No.: 5524-95-8
• Molecular Formula: C23H19N3O5
• Molecular Weight: 417.4141
• DSSTox Substance ID: DTXSID40416883
• Wikidata: Q82226474

Synonyms:5524-95-8;N-[(E)-1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide;ZINC04996647;DTXSID40416883

Chemical Property of N-[(E)-1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide

Chemical Property:

• Vapor Pressure: 1.3E-21mmHg at 25°C
• Boiling Point: 737.5°Cat760mmHg
• Flash Point: 399.8°C
• Density: 1.338g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 417.13247072
• Heavy Atom Count: 31
• Complexity: 653

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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