3-bromanyl-4-(2-methylpropanoylamino)benzoic acid

Systemtic Name: 3-bromanyl-4-(2-methylpropanoylamino)benzoic acid Openeye Name: 3-bromo-4-(2-methylpropanoylamino)benzoic acid CAS Name: 3-bromo-4-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-bromo-4-(2-methylpropanoylamino)benzoic acid Traditional Name: 3-bromo-4-(isobutyrylamino)benzoic acid Formula: C11H12BrNO3 MolecularWeight: 286.12188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO3/c1-6(2)10(14)13-9-4-3-7(11(15)16)5-8(9)12/h3-6H,1-2H3,(H,13,14)(H,15,16)