N-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-piperonyl-1,2,4-oxadiazole-5-carboxamide Formula: C17H16N6O6 MolecularWeight: 400.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NOC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O6/c1-9-15(23(25)26)10(2)22(20-9)7-14-19-17(29-21-14)16(24)18-6-11-3-4-12-13(5-11)28-8-27-12/h3-5H,6-8H2,1-2H3,(H,18,24)