(Z)-Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate

Base Information

• Chemical Name: (Z)-Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate
• CAS No.: 111304-32-6
• Molecular Formula: C13H13NO5
• European Community (EC) Number: 601-072-1
• NSC Number: 637307
• DSSTox Substance ID: DTXSID701210807
• Nikkaji Number: J270.363G
• ChEMBL ID: CHEMBL1669737
• Mol file: 111304-32-6.mol

Synonyms:CHEMBL1669737;NSC637307;SCHEMBL6137188;DTXSID701210807;Ethyl 3- nitrobenzylidenacetoacetate;BDBM50336267;STK397095;AKOS000652869;NSC-637307;111304-32-6;LS-47199;(Z)-Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate;ethyl (2Z)-2-(3-nitrobenzylidene)-3-oxobutanoate;(Z)-2-Acetyl-3-(3-nitrophenyl)acrylic acid ethyl ester;Ethyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxobutanoate

Chemical Property of (Z)-Ethyl 2-(3-nitrobenzylidene)-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 1.4E-06mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 263.07937252
• Heavy Atom Count: 19
• Complexity: 396

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C
• Isomeric SMILES: CCOC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)C