(3Z)-1-acetyl-3-[2-(4-nitrophenyl)-2-oxoethylidene]indol-2-one

Base Information

• Chemical Name: (3Z)-1-acetyl-3-[2-(4-nitrophenyl)-2-oxoethylidene]indol-2-one
• CAS No.: 5238-39-1
• Molecular Formula: C18H12N2O5
• Molecular Weight: 336.2983
• NSC Number: 682577
• DSSTox Substance ID: DTXSID60367560
• Wikidata: Q82153480
• ChEMBL ID: CHEMBL1985477

Synonyms:NSC682577;5238-39-1;(3Z)-1-acetyl-3-[2-(4-nitrophenyl)-2-oxo-ethylidene]indolin-2-one;(3Z)-1-acetyl-3-[2-(4-nitrophenyl)-2-oxoethylidene]indol-2-one;CHEMBL1985477;DTXSID60367560;SMSF0005277;CB14546;NSC-682577;BIM-0014869.P001;SR-01000200237;SR-01000200237-1;1-Acetyl-3-(2-(4-(hydroxy(oxido)amino)phenyl)-2-oxoethylidene)-1,3-dihydro-2H-indol-2-one

Chemical Property of (3Z)-1-acetyl-3-[2-(4-nitrophenyl)-2-oxoethylidene]indol-2-one

Chemical Property:

• Vapor Pressure: 7.69E-13mmHg at 25°C
• Boiling Point: 566.2°Cat760mmHg
• Flash Point: 296.2°C
• Density: 1.489g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 336.07462149
• Heavy Atom Count: 25
• Complexity: 628

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C1=O
• Isomeric SMILES: CC(=O)N1C2=CC=CC=C2/C(=C/C(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C1=O

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