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

Systemtic Name: 5-bromanyl-2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)isoindole-1,3-dione Openeye Name: 5-bromo-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)isoindoline-1,3-dione CAS Name: 5-bromo-2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)isoindole-1,3-dione IUPAC Name: 5-bromo-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)isoindole-1,3-dione Traditional Name: 5-bromo-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)isoindoline-1,3-quinone Formula: C19H14BrN3O3 MolecularWeight: 412.23676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C19H14BrN3O3/c1-11-16(19(26)23(21(11)2)13-6-4-3-5-7-13)22-17(24)14-9-8-12(20)10-15(14)18(22)25/h3-10H,1-2H3