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

Systemtic Name: 4-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxido-phenyl)methylene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidophenyl)methylidene]-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidophenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-(3-ethoxy-5-nitro-4-oxido-benzylidene)-5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoate Formula: C20H12F3N3O7-2 MolecularWeight: 463.32039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C20H14F3N3O7/c1-2-33-15-9-10(8-14(16(15)27)26(31)32)7-13-17(20(21,22)23)24-25(18(13)28)12-5-3-11(4-6-12)19(29)30/h3-9,27H,2H2,1H3,(H,29,30)/p-2/b13-7-