2-(3,4-dimethylphenyl)-5-(6-iodanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(3,4-dimethylphenyl)-5-(6-iodanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-5-(6-iodo-4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-5-(6-iodo-4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-5-(6-iodo-4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-5-(6-iodo-4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C24H15IN2O4 MolecularWeight: 522.29137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)I)C(=O)O4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)I)C(=O)O4)C

InChI

InChI=1S/C24H15IN2O4/c1-12-3-6-16(9-13(12)2)27-22(28)17-7-4-14(10-18(17)23(27)29)21-26-20-8-5-15(25)11-19(20)24(30)31-21/h3-11H,1-2H3