4-fluoranyl-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid Openeye Name: 4-fluoro-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid CAS Name: 4-fluoro-3-[(2-methyl-3-pyrazolyl)methylamino]benzoic acid IUPAC Name: 4-fluoro-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid Traditional Name: 4-fluoro-3-[(2-methylpyrazol-3-yl)methylamino]benzoic acid Formula: C12H12FN3O2 MolecularWeight: 249.240983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)CNC2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CN1C(=CC=N1)CNC2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C12H12FN3O2/c1-16-9(4-5-15-16)7-14-11-6-8(12(17)18)2-3-10(11)13/h2-6,14H,7H2,1H3,(H,17,18)