5-bromanyl-3-[[(4-carboxyphenyl)amino]-(2-hydroxyphenyl)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-bromanyl-3-[[(4-carboxyphenyl)amino]-(2-hydroxyphenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-bromo-3-[(4-carboxyanilino)-(2-hydroxyphenyl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-bromo-3-[(4-carboxyanilino)-(2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-bromo-3-[(4-carboxyanilino)-(2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 5-bromo-3-[(4-carboxyanilino)-(2-hydroxyphenyl)methyl]-2-hydroxy-benzoic acid Formula: C21H16BrNO6 MolecularWeight: 458.25884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C(=CC(=C2)Br)C(=O)O)O)NC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=C(C(=CC(=C2)Br)C(=O)O)O)NC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C21H16BrNO6/c22-12-9-15(19(25)16(10-12)21(28)29)18(14-3-1-2-4-17(14)24)23-13-7-5-11(6-8-13)20(26)27/h1-10,18,23-25H,(H,26,27)(H,28,29)