[1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1-(2-fluorophenyl)pyrazole-3-carboxylate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-1-(2-fluorophenyl)-3-pyrazolecarboxylic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-1-(2-fluorophenyl)pyrazole-3-carboxylic acid [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C14H13BrFN3O3 MolecularWeight: 370.173723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC(=O)C1=NN(C=C1Br)C2=CC=CC=C2F

Isomeric SMILES

CC(C(=O)NC)OC(=O)C1=NN(C=C1Br)C2=CC=CC=C2F

InChI

InChI=1S/C14H13BrFN3O3/c1-8(13(20)17-2)22-14(21)12-9(15)7-19(18-12)11-6-4-3-5-10(11)16/h3-8H,1-2H3,(H,17,20)