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

Systemtic Name: (4E)-4-[[[4-(furan-3-yl)-3-oxidanyl-phenyl]methylamino]methylidene]-6-iodanyl-isoquinoline-1,3-dione Openeye Name: (4E)-4-[[[4-(3-furyl)-3-hydroxy-phenyl]methylamino]methylene]-6-iodo-isoquinoline-1,3-dione CAS Name: (4E)-4-[[[4-(3-furanyl)-3-hydroxyphenyl]methylamino]methylidene]-6-iodoisoquinoline-1,3-dione IUPAC Name: (4E)-4-[[[4-(furan-3-yl)-3-hydroxyphenyl]methylamino]methylidene]-6-iodoisoquinoline-1,3-dione Traditional Name: (4E)-4-[[[4-(3-furyl)-3-hydroxy-benzyl]amino]methylene]-6-iodo-isoquinoline-1,3-quinone Formula: C21H15IN2O4 MolecularWeight: 486.25927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC=C2C3=C(C=CC(=C3)I)C(=O)NC2=O)O)C4=COC=C4

Isomeric SMILES

C1=CC(=C(C=C1CN/C=C/2\C3=C(C=CC(=C3)I)C(=O)NC2=O)O)C4=COC=C4

InChI

InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)/b18-10+