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

Systemtic Name: ethyl 1-[4-[(2-methoxy-5-nitro-phenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(2-methoxy-5-nitro-benzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(2-methoxy-5-nitrobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-[(2-methoxy-5-nitro-benzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H17F3N4O6 MolecularWeight: 478.37809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N4O6/c1-3-34-20(30)16-11-25-27(18(16)21(22,23)24)13-6-4-12(5-7-13)26-19(29)15-10-14(28(31)32)8-9-17(15)33-2/h4-11H,3H2,1-2H3,(H,26,29)