ethyl 1-butyl-4-nitroso-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-butyl-4-nitroso-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-butyl-4-nitroso-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 1-butyl-4-nitroso-5-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-4-nitroso-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-butyl-4-nitroso-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C(=O)OCC)N=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCN1C(=C(C(=N1)C(=O)OCC)N=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O3/c1-3-5-10-23-15(11-6-8-12(9-7-11)17(18,19)20)13(22-25)14(21-23)16(24)26-4-2/h6-9H,3-5,10H2,1-2H3