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

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitro-pyrazole Openeye Name: 3,5-dimethyl-4-nitro-1-(p-tolylmethyl)pyrazole CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitropyrazole IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-nitropyrazole Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)-4-nitro-pyrazole Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2/c1-9-4-6-12(7-5-9)8-15-11(3)13(16(17)18)10(2)14-15/h4-7H,8H2,1-3H3