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

Systemtic Name: 5-[[3,4-bis(oxidanyl)phenyl]methylamino]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[(3,4-dihydroxyphenyl)methylamino]benzoic acid CAS Name: 2-chloro-5-[(3,4-dihydroxyphenyl)methylamino]benzoic acid IUPAC Name: 2-chloro-5-[(3,4-dihydroxyphenyl)methylamino]benzoic acid Traditional Name: 2-chloro-5-(protocatechuylamino)benzoic acid Formula: C14H12ClNO4 MolecularWeight: 293.70238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=CC(=C(C=C2)Cl)C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNC2=CC(=C(C=C2)Cl)C(=O)O)O)O

InChI

InChI=1S/C14H12ClNO4/c15-11-3-2-9(6-10(11)14(19)20)16-7-8-1-4-12(17)13(18)5-8/h1-6,16-18H,7H2,(H,19,20)