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

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(4-bromophenoxy)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(4-bromophenoxy)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(4-bromophenoxy)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[(4-bromophenoxy)methyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1COC2=CC=C(C=C2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1COC2=CC=C(C=C2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12BrN3O3/c1-8-12(16(17)18)9(2)15(14-8)7-19-11-5-3-10(13)4-6-11/h3-6H,7H2,1-2H3