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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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