2-[(5-chloranyl-3-methyl-2-oxidanyl-phenyl)methylamino]benzoic acid

Systemtic Name: 2-[(5-chloranyl-3-methyl-2-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 2-[(5-chloro-2-hydroxy-3-methyl-phenyl)methylamino]benzoic acid CAS Name: 2-[(5-chloro-2-hydroxy-3-methylphenyl)methylamino]benzoic acid IUPAC Name: 2-[(5-chloro-2-hydroxy-3-methylphenyl)methylamino]benzoic acid Traditional Name: 2-[(5-chloro-2-hydroxy-3-methyl-benzyl)amino]benzoic acid Formula: C15H14ClNO3 MolecularWeight: 291.72956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)CNC2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1O)CNC2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C15H14ClNO3/c1-9-6-11(16)7-10(14(9)18)8-17-13-5-3-2-4-12(13)15(19)20/h2-7,17-18H,8H2,1H3,(H,19,20)