2-[3,5-bis(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione

Systemtic Name: 2-[3,5-bis(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione Openeye Name: 2-[3,5-bis(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindoline-1,3-dione CAS Name: 2-[3,5-bis(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione IUPAC Name: 2-[3,5-bis(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione Traditional Name: 2-[3,5-bis(6-bromo-4-keto-3,1-benzoxazin-2-yl)phenyl]isoindoline-1,3-quinone Formula: C30H13Br2N3O6 MolecularWeight: 671.24872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4)C6=NC7=C(C=C(C=C7)Br)C(=O)O6

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4)C6=NC7=C(C=C(C=C7)Br)C(=O)O6

InChI

InChI=1S/C30H13Br2N3O6/c31-16-5-7-23-21(12-16)29(38)40-25(33-23)14-9-15(26-34-24-8-6-17(32)13-22(24)30(39)41-26)11-18(10-14)35-27(36)19-3-1-2-4-20(19)28(35)37/h1-13H