1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC3=C(C=C2Br)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC3=C(C=C2Br)OCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O4/c1-7-13(17(18)19)8(2)16(15-7)5-9-3-11-12(4-10(9)14)21-6-20-11/h3-4H,5-6H2,1-2H3