4-chloranyl-3-oxidanylidene-butanoic acid; 2-cyanobenzamide

Systemtic Name: 4-chloranyl-3-oxidanylidene-butanoic acid; 2-cyanobenzamide Openeye Name: 4-chloro-3-oxo-butanoic acid; 2-cyanobenzamide CAS Name: 4-chloro-3-oxobutanoic acid; 2-cyanobenzamide IUPAC Name: 4-chloro-3-oxobutanoic acid; 2-cyanobenzamide Traditional Name: 4-chloro-3-keto-butyric acid; 2-cyanobenzamide Formula: C12H11ClN2O4 MolecularWeight: 282.67974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(=O)N.C(C(=O)CCl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(=O)N.C(C(=O)CCl)C(=O)O

InChI

InChI=1S/C8H6N2O.C4H5ClO3/c9-5-6-3-1-2-4-7(6)8(10)11;5-2-3(6)1-4(7)8/h1-4H,(H2,10,11);1-2H2,(H,7,8)