(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C15H14BrN3O6 MolecularWeight: 412.19216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC3=C(C=C2Br)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC3=C(C=C2Br)OCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrN3O6/c1-8-15(19(21)22)9(2)18(17-8)5-14(20)23-6-10-3-12-13(4-11(10)16)25-7-24-12/h3-4H,5-7H2,1-2H3