1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3,3-dimethyl-butan-2-one

Systemtic Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3,3-dimethyl-butan-2-one Openeye Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3,3-dimethyl-butan-2-one CAS Name: 1-(3,5-dimethyl-4-nitro-1-pyrazolyl)-3,3-dimethyl-2-butanone IUPAC Name: 1-(3,5-dimethyl-4-nitropyrazol-1-yl)-3,3-dimethylbutan-2-one Traditional Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3,3-dimethyl-butan-2-one Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O3/c1-7-10(14(16)17)8(2)13(12-7)6-9(15)11(3,4)5/h6H2,1-5H3