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

Systemtic Name: 3-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]benzoic acid Openeye Name: 3-[(3-bromo-4-fluoro-phenyl)methylamino]benzoic acid CAS Name: 3-[(3-bromo-4-fluorophenyl)methylamino]benzoic acid IUPAC Name: 3-[(3-bromo-4-fluorophenyl)methylamino]benzoic acid Traditional Name: 3-[(3-bromo-4-fluoro-benzyl)amino]benzoic acid Formula: C14H11BrFNO2 MolecularWeight: 324.145043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrFNO2/c15-12-6-9(4-5-13(12)16)8-17-11-3-1-2-10(7-11)14(18)19/h1-7,17H,8H2,(H,18,19)