N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(4-nitrophenyl)-N-piperonyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C19H13F3N4O5 MolecularWeight: 434.32553

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H13F3N4O5/c20-19(21,22)17-14(9-24-25(17)12-2-4-13(5-3-12)26(28)29)18(27)23-8-11-1-6-15-16(7-11)31-10-30-15/h1-7,9H,8,10H2,(H,23,27)