1-[4-(4-bromophenyl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-[4-(4-bromophenyl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-[4-(4-bromophenyl)phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(4-bromophenyl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-[4-(4-bromophenyl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O3/c1-12-19(23(25)26)13(2)22(21-12)11-18(24)16-5-3-14(4-6-16)15-7-9-17(20)10-8-15/h3-10H,11H2,1-2H3