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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic 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] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C15H15BrFN3O3 MolecularWeight: 384.200303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrFN3O3/c1-9(2)20-13(5-6-18-20)19-14(21)8-23-15(22)11-4-3-10(16)7-12(11)17/h3-7,9H,8H2,1-2H3,(H,19,21)