4-[[2,3-bis(fluoranyl)phenyl]methylamino]-2-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[[2,3-bis(fluoranyl)phenyl]methylamino]-2-ethyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(2,3-difluorophenyl)methylamino]-2-ethyl-pyrazole-3-carboxylic acid CAS Name: 4-[(2,3-difluorophenyl)methylamino]-2-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(2,3-difluorophenyl)methylamino]-2-ethylpyrazole-3-carboxylic acid Traditional Name: 4-[(2,3-difluorobenzyl)amino]-2-ethyl-pyrazole-3-carboxylic acid Formula: C13H13F2N3O2 MolecularWeight: 281.258026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NCC2=C(C(=CC=C2)F)F)C(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)NCC2=C(C(=CC=C2)F)F)C(=O)O

InChI

InChI=1S/C13H13F2N3O2/c1-2-18-12(13(19)20)10(7-17-18)16-6-8-4-3-5-9(14)11(8)15/h3-5,7,16H,2,6H2,1H3,(H,19,20)