2-[1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-keto-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C16H14BrN3O3 MolecularWeight: 376.20466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O)C)Br

InChI

InChI=1S/C16H14BrN3O3/c1-8-13(17)9(2)20(18-8)14(21)10(3)19-15(22)11-6-4-5-7-12(11)16(19)23/h4-7,10H,1-3H3