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

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(3,4-dihydroxyphenyl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorobenzoic acid Traditional Name: 4-fluoro-3-(protocatechuylamino)benzoic acid Formula: C14H12FNO4 MolecularWeight: 277.247783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12FNO4/c15-10-3-2-9(14(19)20)6-11(10)16-7-8-1-4-12(17)13(18)5-8/h1-6,16-18H,7H2,(H,19,20)