methyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: methyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-keto-3-pyrazoline-3-carboxylic acid methyl ester Formula: C13H8F6N2O3 MolecularWeight: 354.204639

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=O)N(N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H8F6N2O3/c1-24-11(23)9-5-10(22)21(20-9)8-3-6(12(14,15)16)2-7(4-8)13(17,18)19/h2-5,20H,1H3