[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3,4-bis(fluoranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3,4-bis(fluoranyl)benzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 3,4-difluorobenzoate CAS Name: 3,4-difluorobenzoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3,4-difluorobenzoate Traditional Name: 3,4-difluorobenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C15H15F2N3O3 MolecularWeight: 323.294706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C15H15F2N3O3/c1-9(2)20-13(5-6-18-20)19-14(21)8-23-15(22)10-3-4-11(16)12(17)7-10/h3-7,9H,8H2,1-2H3,(H,19,21)