4-[(4Z)-4-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: 4-[(4Z)-4-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-4-[(3-methoxy-5-nitro-4-oxido-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-4-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-5-keto-4-(3-methoxy-5-nitro-4-oxido-benzylidene)-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoate Formula: C19H10F3N3O7-2 MolecularWeight: 449.29381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H12F3N3O7/c1-32-14-8-9(7-13(15(14)26)25(30)31)6-12-16(19(20,21)22)23-24(17(12)27)11-4-2-10(3-5-11)18(28)29/h2-8,26H,1H3,(H,28,29)/p-2/b12-6-