3-ethyl-1-(2-fluoranyl-4-nitro-phenyl)pyrazole-4-carboxylate

Systemtic Name: 3-ethyl-1-(2-fluoranyl-4-nitro-phenyl)pyrazole-4-carboxylate Openeye Name: 3-ethyl-1-(2-fluoro-4-nitro-phenyl)pyrazole-4-carboxylate CAS Name: 3-ethyl-1-(2-fluoro-4-nitrophenyl)-4-pyrazolecarboxylate IUPAC Name: 3-ethyl-1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 3-ethyl-1-(2-fluoro-4-nitro-phenyl)pyrazole-4-carboxylate Formula: C12H9FN3O4- MolecularWeight: 278.215963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C=C1C(=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CCC1=NN(C=C1C(=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C12H10FN3O4/c1-2-10-8(12(17)18)6-15(14-10)11-4-3-7(16(19)20)5-9(11)13/h3-6H,2H2,1H3,(H,17,18)/p-1