1-(2-chloroethyl)-3-nitro-pyrazole-4-carbonitrile

Systemtic Name: 1-(2-chloroethyl)-3-nitro-pyrazole-4-carbonitrile Openeye Name: 1-(2-chloroethyl)-3-nitro-pyrazole-4-carbonitrile CAS Name: 1-(2-chloroethyl)-3-nitro-4-pyrazolecarbonitrile IUPAC Name: 1-(2-chloroethyl)-3-nitropyrazole-4-carbonitrile Traditional Name: 1-(2-chloroethyl)-3-nitro-pyrazole-4-carbonitrile Formula: C6H5ClN4O2 MolecularWeight: 200.5825

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NN1CCCl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=C(C(=NN1CCCl)[N+](=O)[O-])C#N

InChI

InChI=1S/C6H5ClN4O2/c7-1-2-10-4-5(3-8)6(9-10)11(12)13/h4H,1-2H2