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

Systemtic Name: 1,3-benzodioxol-5-yl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 1,3-benzodioxol-5-yl 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-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 1,3-benzodioxol-5-yl ester Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OC2=CC3=C(C=C2)OCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6/c1-8-14(17(19)20)9(2)16(15-8)6-13(18)23-10-3-4-11-12(5-10)22-7-21-11/h3-5H,6-7H2,1-2H3