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

Systemtic Name: ethyl 1-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]pyrazole-4-carboxylate CAS Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]pyrazole-4-carboxylate Traditional Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]pyrazole-4-carboxylic acid ethyl ester Formula: C14H13F3N4O4 MolecularWeight: 358.27263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C14H13F3N4O4/c1-3-25-13(22)9-7-20(2)19-12(9)18-10-5-4-8(14(15,16)17)6-11(10)21(23)24/h4-7H,3H2,1-2H3,(H,18,19)