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

Systemtic Name: methyl 3-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[(5-chloro-2-hydroxy-phenyl)methylamino]-4-fluoro-benzoate CAS Name: 3-[(5-chloro-2-hydroxyphenyl)methylamino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-chloro-2-hydroxyphenyl)methylamino]-4-fluorobenzoate Traditional Name: 3-[(5-chloro-2-hydroxy-benzyl)amino]-4-fluoro-benzoic acid methyl ester Formula: C15H13ClFNO3 MolecularWeight: 309.720023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClFNO3/c1-21-15(20)9-2-4-12(17)13(7-9)18-8-10-6-11(16)3-5-14(10)19/h2-7,18-19H,8H2,1H3