2-(4-bromanyl-3-methyl-phenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(4-bromanyl-3-methyl-phenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(4-bromo-3-methyl-phenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(4-bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(4-bromo-3-methylphenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(4-bromo-3-methyl-phenyl)-5-(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:

CC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)Br

InChI

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