2-[cyanomethyl-(4-fluorophenyl)amino]benzoic acid

Systemtic Name: 2-[cyanomethyl-(4-fluorophenyl)amino]benzoic acid Openeye Name: 2-[N-(cyanomethyl)-4-fluoro-anilino]benzoic acid CAS Name: 2-[N-(cyanomethyl)-4-fluoroanilino]benzoic acid IUPAC Name: 2-[N-(cyanomethyl)-4-fluoroanilino]benzoic acid Traditional Name: 2-[N-(cyanomethyl)-4-fluoro-anilino]benzoic acid Formula: C15H11FN2O2 MolecularWeight: 270.258443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N(CC#N)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N(CC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H11FN2O2/c16-11-5-7-12(8-6-11)18(10-9-17)14-4-2-1-3-13(14)15(19)20/h1-8H,10H2,(H,19,20)