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

Systemtic Name: methyl 1-(2-fluoranyl-4-nitro-phenyl)pyrazole-4-carboxylate Openeye Name: methyl 1-(2-fluoro-4-nitro-phenyl)pyrazole-4-carboxylate CAS Name: 1-(2-fluoro-4-nitrophenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-fluoro-4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-fluoro-4-nitro-phenyl)pyrazole-4-carboxylic acid methyl ester Formula: C11H8FN3O4 MolecularWeight: 265.197323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8FN3O4/c1-19-11(16)7-5-13-14(6-7)10-3-2-8(15(17)18)4-9(10)12/h2-6H,1H3