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

Systemtic Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-2-one Openeye Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-2-one CAS Name: 1-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-propanone IUPAC Name: 1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-one Traditional Name: 1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetone Formula: C8H11N3O3 MolecularWeight: 197.19124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O3/c1-5(12)4-10-7(3)8(11(13)14)6(2)9-10/h4H2,1-3H3