2-(3-iodanylphenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(3-iodanylphenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(3-iodophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(3-iodophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3-iodophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 2-(3-iodophenyl)-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-1,3-quinone Formula: C22H11IN2O4 MolecularWeight: 494.23821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=CC=C5)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC(=CC=C5)I

InChI

InChI=1S/C22H11IN2O4/c23-13-4-3-5-14(11-13)25-20(26)15-9-8-12(10-17(15)21(25)27)19-24-18-7-2-1-6-16(18)22(28)29-19/h1-11H