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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-8-14(17(19)20)9(2)16(15-8)6-11(18)10-3-4-12-13(5-10)22-7-21-12/h3-5H,6-7H2,1-2H3