ethyl 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-nitro-5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C16H16F3N3O4 MolecularWeight: 371.31115

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)OCC)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O4/c1-3-5-12-13(22(24)25)14(15(23)26-4-2)21(20-12)11-8-6-10(7-9-11)16(17,18)19/h6-9H,3-5H2,1-2H3