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

Systemtic Name: 4-acetamidobenzamide; 4-chloranyl-3-oxidanylidene-butanoic acid Openeye Name: 4-acetamidobenzamide; 4-chloro-3-oxo-butanoic acid CAS Name: 4-acetamidobenzamide; 4-chloro-3-oxobutanoic acid IUPAC Name: 4-acetamidobenzamide; 4-chloro-3-oxobutanoic acid Traditional Name: 4-acetamidobenzamide; 4-chloro-3-keto-butyric acid Formula: C13H15ClN2O5 MolecularWeight: 314.7216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N.C(C(=O)CCl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N.C(C(=O)CCl)C(=O)O

InChI

InChI=1S/C9H10N2O2.C4H5ClO3/c1-6(12)11-8-4-2-7(3-5-8)9(10)13;5-2-3(6)1-4(7)8/h2-5H,1H3,(H2,10,13)(H,11,12);1-2H2,(H,7,8)