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

Systemtic Name: (4E)-4-[[[4-(furan-2-yl)-3-oxidanyl-phenyl]methylamino]methylidene]-6-iodanyl-isoquinoline-1,3-dione Openeye Name: (4E)-4-[[[4-(2-furyl)-3-hydroxy-phenyl]methylamino]methylene]-6-iodo-isoquinoline-1,3-dione CAS Name: (4E)-4-[[[4-(2-furanyl)-3-hydroxyphenyl]methylamino]methylidene]-6-iodoisoquinoline-1,3-dione IUPAC Name: (4E)-4-[[[4-(furan-2-yl)-3-hydroxyphenyl]methylamino]methylidene]-6-iodoisoquinoline-1,3-dione Traditional Name: (4E)-4-[[[4-(2-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=COC(=C1)C2=C(C=C(C=C2)CNC=C3C4=C(C=CC(=C4)I)C(=O)NC3=O)O

Isomeric SMILES

C1=COC(=C1)C2=C(C=C(C=C2)CN/C=C/3\C4=C(C=CC(=C4)I)C(=O)NC3=O)O

InChI

InChI=1S/C21H15IN2O4/c22-13-4-6-14-16(9-13)17(21(27)24-20(14)26)11-23-10-12-3-5-15(18(25)8-12)19-2-1-7-28-19/h1-9,11,23,25H,10H2,(H,24,26,27)/b17-11+