3-bromanyl-4-(2,2-dimethylpropanoylamino)benzoic acid

Systemtic Name: 3-bromanyl-4-(2,2-dimethylpropanoylamino)benzoic acid Openeye Name: 3-bromo-4-(2,2-dimethylpropanoylamino)benzoic acid CAS Name: 3-bromo-4-[(2,2-dimethyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-bromo-4-(2,2-dimethylpropanoylamino)benzoic acid Traditional Name: 3-bromo-4-(pivaloylamino)benzoic acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3/c1-12(2,3)11(17)14-9-5-4-7(10(15)16)6-8(9)13/h4-6H,1-3H3,(H,14,17)(H,15,16)