methyl 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid methyl ester Formula: C13H7Cl2F6N3O2 MolecularWeight: 422.109999

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1C(F)(F)F)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1C(F)(F)F)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

InChI

InChI=1S/C13H7Cl2F6N3O2/c1-26-11(25)7-9(13(19,20)21)23-24(10(7)22)8-5(14)2-4(3-6(8)15)12(16,17)18/h2-3H,22H2,1H3