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

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylamino]benzoic acid Openeye Name: 3-[(3,4-dihydroxyphenyl)methylamino]benzoic acid CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]benzoic acid IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylamino]benzoic acid Traditional Name: 3-(protocatechuylamino)benzoic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC(=C(C=C2)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC(=C(C=C2)O)O)C(=O)O

InChI

InChI=1S/C14H13NO4/c16-12-5-4-9(6-13(12)17)8-15-11-3-1-2-10(7-11)14(18)19/h1-7,15-17H,8H2,(H,18,19)