4-chloranyl-3-oxidanylidene-butanoic acid; 2,4,6-trimethylbenzamide

Systemtic Name: 4-chloranyl-3-oxidanylidene-butanoic acid; 2,4,6-trimethylbenzamide Openeye Name: 4-chloro-3-oxo-butanoic acid; 2,4,6-trimethylbenzamide CAS Name: 4-chloro-3-oxobutanoic acid; 2,4,6-trimethylbenzamide IUPAC Name: 4-chloro-3-oxobutanoic acid; 2,4,6-trimethylbenzamide Traditional Name: 4-chloro-3-keto-butyric acid; 2,4,6-trimethylbenzamide Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO.C4H5ClO3/c1-6-4-7(2)9(10(11)12)8(3)5-6;5-2-3(6)1-4(7)8/h4-5H,1-3H3,(H2,11,12);1-2H2,(H,7,8)