methyl 5-[[3,4-bis(oxidanyl)phenyl]methylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[[3,4-bis(oxidanyl)phenyl]methylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[(3,4-dihydroxyphenyl)methylamino]-2-fluoro-benzoate CAS Name: 5-[(3,4-dihydroxyphenyl)methylamino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(3,4-dihydroxyphenyl)methylamino]-2-fluorobenzoate Traditional Name: 2-fluoro-5-(protocatechuylamino)benzoic acid methyl ester Formula: C15H14FNO4 MolecularWeight: 291.274363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14FNO4/c1-21-15(20)11-7-10(3-4-12(11)16)17-8-9-2-5-13(18)14(19)6-9/h2-7,17-19H,8H2,1H3