ethyl 1-[3-[(2-methyl-3-nitro-phenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2-methyl-3-nitro-phenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(2-methyl-3-nitro-benzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[3-[(2-methyl-3-nitro-benzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H17F3N4O5 MolecularWeight: 462.37869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O5/c1-3-33-20(30)16-11-25-27(18(16)21(22,23)24)14-7-4-6-13(10-14)26-19(29)15-8-5-9-17(12(15)2)28(31)32/h4-11H,3H2,1-2H3,(H,26,29)