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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanenitrile Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetonitrile CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetonitrile IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetonitrile Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetonitrile Formula: C7H8N4O2 MolecularWeight: 180.16402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8N4O2/c1-5-7(11(12)13)6(2)10(9-5)4-3-8/h4H2,1-2H3