3,4,6-tris(fluoranyl)-2-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3,4,6-tris(fluoranyl)-2-[(phenylmethyl)amino]benzoic acid Openeye Name: 2-(benzylamino)-3,4,6-trifluoro-benzoic acid CAS Name: 3,4,6-trifluoro-2-[(phenylmethyl)amino]benzoic acid IUPAC Name: 2-(benzylamino)-3,4,6-trifluorobenzoic acid Traditional Name: 2-(benzylamino)-3,4,6-trifluoro-benzoic acid Formula: C14H10F3NO2 MolecularWeight: 281.22991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2F)F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2F)F)F)C(=O)O

InChI

InChI=1S/C14H10F3NO2/c15-9-6-10(16)12(17)13(11(9)14(19)20)18-7-8-4-2-1-3-5-8/h1-6,18H,7H2,(H,19,20)