3,5-dimethyl-1-[1-(4-methylphenyl)-2-nitro-ethyl]pyrazole

Systemtic Name: 3,5-dimethyl-1-[1-(4-methylphenyl)-2-nitro-ethyl]pyrazole Openeye Name: 3,5-dimethyl-1-[2-nitro-1-(p-tolyl)ethyl]pyrazole CAS Name: 3,5-dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole IUPAC Name: 3,5-dimethyl-1-[1-(4-methylphenyl)-2-nitroethyl]pyrazole Traditional Name: 3,5-dimethyl-1-[2-nitro-1-(p-tolyl)ethyl]pyrazole Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])N2C(=CC(=N2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C[N+](=O)[O-])N2C(=CC(=N2)C)C

InChI

InChI=1S/C14H17N3O2/c1-10-4-6-13(7-5-10)14(9-16(18)19)17-12(3)8-11(2)15-17/h4-8,14H,9H2,1-3H3