1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-4-nitropyrazole Traditional Name: 3,5-dimethyl-4-nitro-1-piperonyl-pyrazole Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-8-13(16(17)18)9(2)15(14-8)6-10-3-4-11-12(5-10)20-7-19-11/h3-5H,6-7H2,1-2H3