1-(3-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: 1-(3-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: 1-(3-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(3-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylate IUPAC Name: 1-(3-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(3-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate Formula: C11H5F3N3O4- MolecularWeight: 300.17031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=C(C=N2)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=C(C=N2)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H6F3N3O4/c12-11(13,14)9-8(10(18)19)5-15-16(9)6-2-1-3-7(4-6)17(20)21/h1-5H,(H,18,19)/p-1