2-chloranyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 2-chloro-5-[(4-hydroxy-3-methoxy-phenyl)methylamino]benzoic acid CAS Name: 2-chloro-5-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid IUPAC Name: 2-chloro-5-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid Traditional Name: 2-chloro-5-(vanillylamino)benzoic acid Formula: C15H14ClNO4 MolecularWeight: 307.72896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)Cl)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)Cl)C(=O)O)O

InChI

InChI=1S/C15H14ClNO4/c1-21-14-6-9(2-5-13(14)18)8-17-10-3-4-12(16)11(7-10)15(19)20/h2-7,17-18H,8H2,1H3,(H,19,20)