5-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-2-chloro-benzoic acid CAS Name: 5-[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-2-chlorobenzoic acid Traditional Name: 5-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-2-chloro-benzoic acid Formula: C16H13BrClNO4 MolecularWeight: 398.63572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)OC

InChI

InChI=1S/C16H13BrClNO4/c1-8-5-9(17)6-12(14(8)23-2)15(20)19-10-3-4-13(18)11(7-10)16(21)22/h3-7H,1-2H3,(H,19,20)(H,21,22)