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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)-N-piperonyl-pyrazole-3-carboxamide Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O5/c1-26-9-3-6-19(26)18-12-20(27(25-18)16-4-2-5-17(11-16)28(30)31)23(29)24-13-15-7-8-21-22(10-15)33-14-32-21/h2-12H,13-14H2,1H3,(H,24,29)