ethyl 2-(3-cyano-4-fluoranyl-phenyl)-5-methyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(3-cyano-4-fluoranyl-phenyl)-5-methyl-4-nitro-pyrazole-3-carboxylate Openeye Name: ethyl 2-(3-cyano-4-fluoro-phenyl)-5-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 2-(3-cyano-4-fluorophenyl)-5-methyl-4-nitro-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-4-fluorophenyl)-5-methyl-4-nitropyrazole-3-carboxylate Traditional Name: 2-(3-cyano-4-fluoro-phenyl)-5-methyl-4-nitro-pyrazole-3-carboxylic acid ethyl ester Formula: C14H11FN4O4 MolecularWeight: 318.259943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1C2=CC(=C(C=C2)F)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1C2=CC(=C(C=C2)F)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C14H11FN4O4/c1-3-23-14(20)13-12(19(21)22)8(2)17-18(13)10-4-5-11(15)9(6-10)7-16/h4-6H,3H2,1-2H3