4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzonitrile CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzonitrile IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzonitrile Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O2/c1-9-13(17(18)19)10(2)16(15-9)8-12-5-3-11(7-14)4-6-12/h3-6H,8H2,1-2H3