2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]benzonitrile Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O2/c1-13-19(23(24)25)14(2)22(21-13)12-15-7-9-16(10-8-15)18-6-4-3-5-17(18)11-20/h3-10H,12H2,1-2H3