N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitro-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitro-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitro-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitropyrazole-3-carboxamide Traditional Name: 2-methyl-5-nitro-N-piperonyl-pyrazole-3-carboxamide Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=CC(=N1)[N+](=O)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N4O5/c1-16-9(5-12(15-16)17(19)20)13(18)14-6-8-2-3-10-11(4-8)22-7-21-10/h2-5H,6-7H2,1H3,(H,14,18)