ethyl 1-[3-[(3-nitrophenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(3-nitrophenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(3-nitrobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-nitrobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[3-[(3-nitrobenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H15F3N4O5 MolecularWeight: 448.35211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N4O5/c1-2-32-19(29)16-11-24-26(17(16)20(21,22)23)14-7-4-6-13(10-14)25-18(28)12-5-3-8-15(9-12)27(30)31/h3-11H,2H2,1H3,(H,25,28)