5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(2-phenylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(2-phenylphenyl)isoindole-1,3-dione Openeye Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(2-phenylphenyl)isoindoline-1,3-dione CAS Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(2-phenylphenyl)isoindole-1,3-dione IUPAC Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(2-phenylphenyl)isoindole-1,3-dione Traditional Name: 5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)-2-(2-phenylphenyl)isoindoline-1,3-quinone Formula: C28H15BrN2O4 MolecularWeight: 523.3337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)C5=NC6=C(C=C(C=C6)Br)C(=O)O5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=C(C3=O)C=C(C=C4)C5=NC6=C(C=C(C=C6)Br)C(=O)O5

InChI

InChI=1S/C28H15BrN2O4/c29-18-11-13-23-22(15-18)28(34)35-25(30-23)17-10-12-20-21(14-17)27(33)31(26(20)32)24-9-5-4-8-19(24)16-6-2-1-3-7-16/h1-15H