4-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-1-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-1-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methylamino]-1-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[(2-chloro-6-fluorophenyl)methylamino]-1-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methylamino]-1-methylpyrazole-3-carboxylic acid Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)amino]-1-methyl-pyrazole-3-carboxylic acid Formula: C12H11ClFN3O2 MolecularWeight: 283.686043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)O)NCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CN1C=C(C(=N1)C(=O)O)NCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C12H11ClFN3O2/c1-17-6-10(11(16-17)12(18)19)15-5-7-8(13)3-2-4-9(7)14/h2-4,6,15H,5H2,1H3,(H,18,19)