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

Systemtic Name: 5-(6-iodanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(3-nitrophenyl)isoindole-1,3-dione Openeye Name: 5-(6-iodo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-nitrophenyl)isoindoline-1,3-dione CAS Name: 5-(6-iodo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-(6-iodo-4-oxo-3,1-benzoxazin-2-yl)-2-(3-nitrophenyl)isoindole-1,3-dione Traditional Name: 5-(6-iodo-4-keto-3,1-benzoxazin-2-yl)-2-(3-nitrophenyl)isoindoline-1,3-quinone Formula: C22H10IN3O6 MolecularWeight: 539.23577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)I)C(=O)O4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)I)C(=O)O4

InChI

InChI=1S/C22H10IN3O6/c23-12-5-7-18-17(9-12)22(29)32-19(24-18)11-4-6-15-16(8-11)21(28)25(20(15)27)13-2-1-3-14(10-13)26(30)31/h1-10H