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

Systemtic Name: 1-[1-(4-bromophenyl)-2-nitro-ethyl]-3,5-dimethyl-pyrazole Openeye Name: 1-[1-(4-bromophenyl)-2-nitro-ethyl]-3,5-dimethyl-pyrazole CAS Name: 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethylpyrazole IUPAC Name: 1-[1-(4-bromophenyl)-2-nitroethyl]-3,5-dimethylpyrazole Traditional Name: 1-[1-(4-bromophenyl)-2-nitro-ethyl]-3,5-dimethyl-pyrazole Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C[N+](=O)[O-])C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=NN1C(C[N+](=O)[O-])C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C13H14BrN3O2/c1-9-7-10(2)17(15-9)13(8-16(18)19)11-3-5-12(14)6-4-11/h3-7,13H,8H2,1-2H3