4,5,6,7-tetrakis(bromanyl)-2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)isoindole-1,3-dione

Systemtic Name: 4,5,6,7-tetrakis(bromanyl)-2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)isoindole-1,3-dione Openeye Name: 4,5,6,7-tetrabromo-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)isoindoline-1,3-dione CAS Name: 4,5,6,7-tetrabromo-2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)isoindole-1,3-dione IUPAC Name: 4,5,6,7-tetrabromo-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)isoindole-1,3-dione Traditional Name: 4,5,6,7-tetrabromo-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)isoindoline-1,3-quinone Formula: C19H11Br4N3O3 MolecularWeight: 648.92494

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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(=C4Br)Br)Br)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Br)Br)Br)Br

InChI

InChI=1S/C19H11Br4N3O3/c1-8-16(19(29)26(24(8)2)9-6-4-3-5-7-9)25-17(27)10-11(18(25)28)13(21)15(23)14(22)12(10)20/h3-7H,1-2H3