ethyl 2-(4-fluorophenyl)-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-(4-fluorophenyl)-5-(2-methylpropyl)-4-nitro-pyrazole-3-carboxylate Openeye Name: ethyl 2-(4-fluorophenyl)-5-isobutyl-4-nitro-pyrazole-3-carboxylate CAS Name: 2-(4-fluorophenyl)-5-(2-methylpropyl)-4-nitro-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-fluorophenyl)-5-(2-methylpropyl)-4-nitropyrazole-3-carboxylate Traditional Name: 2-(4-fluorophenyl)-5-isobutyl-4-nitro-pyrazole-3-carboxylic acid ethyl ester Formula: C16H18FN3O4 MolecularWeight: 335.330223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O4/c1-4-24-16(21)15-14(20(22)23)13(9-10(2)3)18-19(15)12-7-5-11(17)6-8-12/h5-8,10H,4,9H2,1-3H3