5-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(3-bromo-4-fluoro-phenyl)methylamino]-2-chloro-benzoic acid CAS Name: 5-[(3-bromo-4-fluorophenyl)methylamino]-2-chlorobenzoic acid IUPAC Name: 5-[(3-bromo-4-fluorophenyl)methylamino]-2-chlorobenzoic acid Traditional Name: 5-[(3-bromo-4-fluoro-benzyl)amino]-2-chloro-benzoic acid Formula: C14H10BrClFNO2 MolecularWeight: 358.590103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrClFNO2/c15-11-5-8(1-4-13(11)17)7-18-9-2-3-12(16)10(6-9)14(19)20/h1-6,18H,7H2,(H,19,20)