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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=O)O4

InChI

InChI=1S/C23H13BrN2O4/c1-12-4-2-3-5-19(12)26-21(27)15-8-6-13(10-16(15)22(26)28)20-25-18-9-7-14(24)11-17(18)23(29)30-20/h2-11H,1H3