1,3-benzodioxol-5-ylmethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid piperonyl ester Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6/c1-9-15(18(20)21)10(2)17(16-9)6-14(19)22-7-11-3-4-12-13(5-11)24-8-23-12/h3-5H,6-8H2,1-2H3