2-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]benzoic acid Openeye Name: 2-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]benzoic acid CAS Name: 2-[(4-bromo-2,6-dimethylanilino)-oxomethyl]benzoic acid IUPAC Name: 2-[(4-bromo-2,6-dimethylphenyl)carbamoyl]benzoic acid Traditional Name: 2-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]benzoic acid Formula: C16H14BrNO3 MolecularWeight: 348.19126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=CC=CC=C2C(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC=CC=C2C(=O)O)C)Br

InChI

InChI=1S/C16H14BrNO3/c1-9-7-11(17)8-10(2)14(9)18-15(19)12-5-3-4-6-13(12)16(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)