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

Systemtic Name: 5-bromanyl-3-[[(4-carboxyphenyl)amino]-(4-dimethylaminophenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-bromo-3-[(4-carboxyanilino)-(4-dimethylaminophenyl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-bromo-3-[(4-carboxyanilino)-(4-dimethylaminophenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-bromo-3-[(4-carboxyanilino)-(4-dimethylaminophenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 5-bromo-3-[(4-carboxyanilino)-(4-dimethylaminophenyl)methyl]-2-hydroxy-benzoic acid Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O5/c1-26(2)17-9-5-13(6-10-17)20(25-16-7-3-14(4-8-16)22(28)29)18-11-15(24)12-19(21(18)27)23(30)31/h3-12,20,25,27H,1-2H3,(H,28,29)(H,30,31)