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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-piperonyl-1,2,4-oxadiazole-5-carboxamide Formula: C16H13BrN6O6 MolecularWeight: 465.21502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN6O6/c1-8-13(17)14(23(25)26)20-22(8)6-12-19-16(29-21-12)15(24)18-5-9-2-3-10-11(4-9)28-7-27-10/h2-4H,5-7H2,1H3,(H,18,24)