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

Systemtic Name: 4-chloranyl-3-oxidanylidene-butanoic acid; 2-methylbenzamide Openeye Name: 4-chloro-3-oxo-butanoic acid; 2-methylbenzamide CAS Name: 4-chloro-3-oxobutanoic acid; 2-methylbenzamide IUPAC Name: 4-chloro-3-oxobutanoic acid; 2-methylbenzamide Traditional Name: 4-chloro-3-keto-butyric acid; 2-methylbenzamide Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N.C(C(=O)CCl)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N.C(C(=O)CCl)C(=O)O

InChI

InChI=1S/C8H9NO.C4H5ClO3/c1-6-4-2-3-5-7(6)8(9)10;5-2-3(6)1-4(7)8/h2-5H,1H3,(H2,9,10);1-2H2,(H,7,8)