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

Systemtic Name: 5-(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-benzyl-5-(6-bromo-4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C23H13BrN2O4 MolecularWeight: 461.26432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

InChI

InChI=1S/C23H13BrN2O4/c24-15-7-9-19-18(11-15)23(29)30-20(25-19)14-6-8-16-17(10-14)22(28)26(21(16)27)12-13-4-2-1-3-5-13/h1-11H,12H2