methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C12H8F3N3O4 MolecularWeight: 315.20483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H8F3N3O4/c1-22-11(19)7-5-16-17(6-7)9-3-2-8(12(13,14)15)4-10(9)18(20)21/h2-6H,1H3