4-chloranyl-3-oxidanylidene-butanoic acid; 4-methoxybenzamide

Systemtic Name: 4-chloranyl-3-oxidanylidene-butanoic acid; 4-methoxybenzamide Openeye Name: 4-chloro-3-oxo-butanoic acid; 4-methoxybenzamide CAS Name: 4-chloro-3-oxobutanoic acid; 4-methoxybenzamide IUPAC Name: 4-chloro-3-oxobutanoic acid; 4-methoxybenzamide Traditional Name: 4-chloro-3-keto-butyric acid; 4-methoxybenzamide Formula: C12H14ClNO5 MolecularWeight: 287.69626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N.C(C(=O)CCl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N.C(C(=O)CCl)C(=O)O

InChI

InChI=1S/C8H9NO2.C4H5ClO3/c1-11-7-4-2-6(3-5-7)8(9)10;5-2-3(6)1-4(7)8/h2-5H,1H3,(H2,9,10);1-2H2,(H,7,8)