4-chloranyl-3-oxidanylidene-butanoic acid; 2,4-dimethylbenzamide

Systemtic Name: 4-chloranyl-3-oxidanylidene-butanoic acid; 2,4-dimethylbenzamide Openeye Name: 4-chloro-3-oxo-butanoic acid; 2,4-dimethylbenzamide CAS Name: 4-chloro-3-oxobutanoic acid; 2,4-dimethylbenzamide IUPAC Name: 4-chloro-3-oxobutanoic acid; 2,4-dimethylbenzamide Traditional Name: 4-chloro-3-keto-butyric acid; 2,4-dimethylbenzamide Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N)C.C(C(=O)CCl)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N)C.C(C(=O)CCl)C(=O)O

InChI

InChI=1S/C9H11NO.C4H5ClO3/c1-6-3-4-8(9(10)11)7(2)5-6;5-2-3(6)1-4(7)8/h3-5H,1-2H3,(H2,10,11);1-2H2,(H,7,8)