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

Systemtic Name: (4E)-6-(furan-2-yl)-4-[[(2-iodanyl-5-oxidanyl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-6-(2-furyl)-4-[[(5-hydroxy-2-iodo-phenyl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4E)-6-(2-furanyl)-4-[[(5-hydroxy-2-iodophenyl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-6-(furan-2-yl)-4-[[(5-hydroxy-2-iodophenyl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-6-(2-furyl)-4-[[(5-hydroxy-2-iodo-benzyl)amino]methylene]isoquinoline-1,3-quinone Formula: C21H15IN2O4 MolecularWeight: 486.25927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC3=C(C=C2)C(=O)NC(=O)C3=CNCC4=C(C=CC(=C4)O)I

Isomeric SMILES

C1=COC(=C1)C2=CC\3=C(C=C2)C(=O)NC(=O)/C3=C/NCC4=C(C=CC(=C4)O)I

InChI

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