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

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-1-ethyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methylamino]-1-ethyl-pyrazole-3-carboxylic acid CAS Name: 4-[(2-chloro-6-fluorophenyl)methylamino]-1-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)amino]-1-ethyl-pyrazole-3-carboxylic acid Formula: C13H13ClFN3O2 MolecularWeight: 297.712623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)O)NCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)O)NCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H13ClFN3O2/c1-2-18-7-11(12(17-18)13(19)20)16-6-8-9(14)4-3-5-10(8)15/h3-5,7,16H,2,6H2,1H3,(H,19,20)