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

Systemtic Name: 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(1-phenylethyl)isoindole-1,3-dione Openeye Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(1-phenylethyl)isoindoline-1,3-dione CAS Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(1-phenylethyl)isoindole-1,3-dione IUPAC Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(1-phenylethyl)isoindole-1,3-dione Traditional Name: 5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)-2-(1-phenylethyl)isoindoline-1,3-quinone Formula: C24H15BrN2O4 MolecularWeight: 475.2909

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=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

CC(C1=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/C24H15BrN2O4/c1-13(14-5-3-2-4-6-14)27-22(28)17-9-7-15(11-18(17)23(27)29)21-26-20-10-8-16(25)12-19(20)24(30)31-21/h2-13H,1H3