3-nitro-1-prop-2-ynyl-pyrazole-4-carbonitrile

Systemtic Name: 3-nitro-1-prop-2-ynyl-pyrazole-4-carbonitrile Openeye Name: 3-nitro-1-prop-2-ynyl-pyrazole-4-carbonitrile CAS Name: 3-nitro-1-prop-2-ynyl-4-pyrazolecarbonitrile IUPAC Name: 3-nitro-1-prop-2-ynylpyrazole-4-carbonitrile Traditional Name: 3-nitro-1-propargyl-pyrazole-4-carbonitrile Formula: C7H4N4O2 MolecularWeight: 176.13226

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C(=N1)[N+](=O)[O-])C#N

Isomeric SMILES

C#CCN1C=C(C(=N1)[N+](=O)[O-])C#N

InChI

InChI=1S/C7H4N4O2/c1-2-3-10-5-6(4-8)7(9-10)11(12)13/h1,5H,3H2