2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzonitrile CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-5-nitrobenzonitrile IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzonitrile Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C12H10N4O2/c1-8-5-9(2)15(14-8)12-4-3-11(16(17)18)6-10(12)7-13/h3-6H,1-2H3