3,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrazole

Systemtic Name: 3,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrazole Openeye Name: 3,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrazole CAS Name: 3,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrazole IUPAC Name: 3,5-dimethyl-1-[(3-nitrophenyl)methyl]pyrazole Traditional Name: 3,5-dimethyl-1-(3-nitrobenzyl)pyrazole Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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