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

Systemtic Name: 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione Openeye Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindoline-1,3-dione CAS Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindole-1,3-dione Traditional Name: 5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)-2-(3-methoxyphenyl)isoindoline-1,3-quinone Formula: C23H13BrN2O5 MolecularWeight: 477.26372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

InChI

InChI=1S/C23H13BrN2O5/c1-30-15-4-2-3-14(11-15)26-21(27)16-7-5-12(9-17(16)22(26)28)20-25-19-8-6-13(24)10-18(19)23(29)31-20/h2-11H,1H3