(4E)-6-iodanyl-4-[[(2-iodanyl-5-oxidanyl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-6-iodanyl-4-[[(2-iodanyl-5-oxidanyl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[[(5-hydroxy-2-iodo-phenyl)methylamino]methylene]-6-iodo-isoquinoline-1,3-dione CAS Name: (4E)-4-[[(5-hydroxy-2-iodophenyl)methylamino]methylidene]-6-iodoisoquinoline-1,3-dione IUPAC Name: (4E)-4-[[(5-hydroxy-2-iodophenyl)methylamino]methylidene]-6-iodoisoquinoline-1,3-dione Traditional Name: (4E)-4-[[(5-hydroxy-2-iodo-benzyl)amino]methylene]-6-iodo-isoquinoline-1,3-quinone Formula: C17H12I2N2O3 MolecularWeight: 546.09772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)CNC=C2C3=C(C=CC(=C3)I)C(=O)NC2=O)I

Isomeric SMILES

C1=CC(=C(C=C1O)CN/C=C/2\C3=C(C=CC(=C3)I)C(=O)NC2=O)I

InChI

InChI=1S/C17H12I2N2O3/c18-10-1-3-12-13(6-10)14(17(24)21-16(12)23)8-20-7-9-5-11(22)2-4-15(9)19/h1-6,8,20,22H,7H2,(H,21,23,24)/b14-8+