2-[3,5-bis(bromanyl)-4-nitro-phenyl]-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-[3,5-bis(bromanyl)-4-nitro-phenyl]-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(3,5-dibromo-4-nitro-phenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(3,5-dibromo-4-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3,5-dibromo-4-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(3,5-dibromo-4-nitro-phenyl)-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C22H9Br2N3O6 MolecularWeight: 571.13136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=C(C(=C5)Br)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=C(C(=C5)Br)[N+](=O)[O-])Br

InChI

InChI=1S/C22H9Br2N3O6/c23-15-8-11(9-16(24)18(15)27(31)32)26-20(28)12-6-5-10(7-14(12)21(26)29)19-25-17-4-2-1-3-13(17)22(30)33-19/h1-9H