5-methyl-1-[(4-methylphenyl)methyl]-3-nitro-pyrazole-4-carbonitrile

Systemtic Name: 5-methyl-1-[(4-methylphenyl)methyl]-3-nitro-pyrazole-4-carbonitrile Openeye Name: 5-methyl-3-nitro-1-(p-tolylmethyl)pyrazole-4-carbonitrile CAS Name: 5-methyl-1-[(4-methylphenyl)methyl]-3-nitro-4-pyrazolecarbonitrile IUPAC Name: 5-methyl-1-[(4-methylphenyl)methyl]-3-nitropyrazole-4-carbonitrile Traditional Name: 5-methyl-1-(4-methylbenzyl)-3-nitro-pyrazole-4-carbonitrile Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)[N+](=O)[O-])C#N)C

InChI

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