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

Systemtic Name: 5-methyl-1-[(3-methylphenyl)methyl]-3-nitro-pyrazole Openeye Name: 5-methyl-1-(m-tolylmethyl)-3-nitro-pyrazole CAS Name: 5-methyl-1-[(3-methylphenyl)methyl]-3-nitropyrazole IUPAC Name: 5-methyl-1-[(3-methylphenyl)methyl]-3-nitropyrazole Traditional Name: 5-methyl-1-(3-methylbenzyl)-3-nitro-pyrazole Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2/c1-9-4-3-5-11(6-9)8-14-10(2)7-12(13-14)15(16)17/h3-7H,8H2,1-2H3