ethyl 5-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 5-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 5-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyrazole-3-carboxylate CAS Name: 5-methyl-5-[[4-nitro-3-(trifluoromethyl)anilino]-oxomethyl]-1,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyrazole-3-carboxylate Traditional Name: 5-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C15H15F3N4O5 MolecularWeight: 388.29861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1)(C)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NNC(C1)(C)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H15F3N4O5/c1-3-27-12(23)10-7-14(2,21-20-10)13(24)19-8-4-5-11(22(25)26)9(6-8)15(16,17)18/h4-6,21H,3,7H2,1-2H3,(H,19,24)