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

Systemtic Name: ethyl 1-(2-fluoranyl-4-nitro-phenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-fluoro-4-nitro-phenyl)pyrazole-4-carboxylate CAS Name: 1-(2-fluoro-4-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-fluoro-4-nitro-phenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C12H10FN3O4 MolecularWeight: 279.223903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)C2=C(C=C(C=C2)[N+](=O)[O-])F

InChI

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