3-[[2,6-bis(bromanyl)-4-methyl-phenyl]carbamoyl]benzoic acid

Systemtic Name: 3-[[2,6-bis(bromanyl)-4-methyl-phenyl]carbamoyl]benzoic acid Openeye Name: 3-[(2,6-dibromo-4-methyl-phenyl)carbamoyl]benzoic acid CAS Name: 3-[(2,6-dibromo-4-methylanilino)-oxomethyl]benzoic acid IUPAC Name: 3-[(2,6-dibromo-4-methylphenyl)carbamoyl]benzoic acid Traditional Name: 3-[(2,6-dibromo-4-methyl-phenyl)carbamoyl]benzoic acid Formula: C15H11Br2NO3 MolecularWeight: 413.06074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)C2=CC(=CC=C2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)C2=CC(=CC=C2)C(=O)O)Br

InChI

InChI=1S/C15H11Br2NO3/c1-8-5-11(16)13(12(17)6-8)18-14(19)9-3-2-4-10(7-9)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)