3-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(3,5-dichloro-2-hydroxy-phenyl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-4-fluorobenzoic acid Traditional Name: 3-[(3,5-dichloro-2-hydroxy-benzyl)amino]-4-fluoro-benzoic acid Formula: C14H10Cl2FNO3 MolecularWeight: 330.138503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NCC2=CC(=CC(=C2O)Cl)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NCC2=CC(=CC(=C2O)Cl)Cl)F

InChI

InChI=1S/C14H10Cl2FNO3/c15-9-3-8(13(19)10(16)5-9)6-18-12-4-7(14(20)21)1-2-11(12)17/h1-5,18-19H,6H2,(H,20,21)