4-chloranyl-3-(3,3-dimethylbutanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(3,3-dimethylbutanoylamino)benzoic acid Openeye Name: 4-chloro-3-(3,3-dimethylbutanoylamino)benzoic acid CAS Name: 4-chloro-3-[(3,3-dimethyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 4-chloro-3-(3,3-dimethylbutanoylamino)benzoic acid Traditional Name: 4-chloro-3-(3,3-dimethylbutanoylamino)benzoic acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO3/c1-13(2,3)7-11(16)15-10-6-8(12(17)18)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)