2-[3-(6-iodanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-5-nitro-isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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