N-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(3-nitrophenyl)-N-piperonyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NN3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C22H16N4O5S/c27-22(23-12-14-6-7-19-20(9-14)31-13-30-19)18-11-17(21-5-2-8-32-21)24-25(18)15-3-1-4-16(10-15)26(28)29/h1-11H,12-13H2,(H,23,27)