4-[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-3-(trifluoromethyl)-1-pyrazolyl]benzoate IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[5-keto-4-piperonylidene-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzoate Formula: C19H10F3N2O5- MolecularWeight: 403.28831

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H11F3N2O5/c20-19(21,22)16-13(7-10-1-6-14-15(8-10)29-9-28-14)17(25)24(23-16)12-4-2-11(3-5-12)18(26)27/h1-8H,9H2,(H,26,27)/p-1