4-[4-[[2,6-bis(fluoranyl)phenyl]carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[[2,6-bis(fluoranyl)phenyl]carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(2,6-difluorobenzoyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(2,6-difluorophenyl)-oxomethyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(2,6-difluorobenzoyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(2,6-difluorobenzoyl)amino]pyrazol-1-yl]butyrate Formula: C14H12F2N3O3- MolecularWeight: 308.260186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)NC2=CN(N=C2)CCCC(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)NC2=CN(N=C2)CCCC(=O)[O-])F

InChI

InChI=1S/C14H13F2N3O3/c15-10-3-1-4-11(16)13(10)14(22)18-9-7-17-19(8-9)6-2-5-12(20)21/h1,3-4,7-8H,2,5-6H2,(H,18,22)(H,20,21)/p-1