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methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name:methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
Openeye Name:methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CAS Name:1-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid methyl ester
IUPAC Name:methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
Traditional Name:1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid methyl ester
Formula: C12H8F3N3O4
MolecularWeight: 315.20483
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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