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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-1,2,4-oxadiazole Formula: C14H10BrN5O5 MolecularWeight: 408.1637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-])Br

InChI

InChI=1S/C14H10BrN5O5/c1-7-12(15)14(20(21)22)17-19(7)5-11-16-13(18-25-11)8-2-3-9-10(4-8)24-6-23-9/h2-4H,5-6H2,1H3