(4Z)-4-[[[5-(furan-3-yl)-4-oxidanylidene-1H-pyridin-2-yl]methylamino]methylidene]-6-iodanyl-isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[[[5-(furan-3-yl)-4-oxidanylidene-1H-pyridin-2-yl]methylamino]methylidene]-6-iodanyl-isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[[5-(3-furyl)-4-oxo-1H-pyridin-2-yl]methylamino]methylene]-6-iodo-isoquinoline-1,3-dione CAS Name: (4Z)-4-[[[5-(3-furanyl)-4-oxo-1H-pyridin-2-yl]methylamino]methylidene]-6-iodoisoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[[5-(furan-3-yl)-4-oxo-1H-pyridin-2-yl]methylamino]methylidene]-6-iodoisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[[5-(3-furyl)-4-keto-1H-pyridin-2-yl]methylamino]methylene]-6-iodo-isoquinoline-1,3-quinone Formula: C20H14IN3O4 MolecularWeight: 487.24733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1I)C(=CNCC3=CC(=O)C(=CN3)C4=COC=C4)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1I)/C(=C/NCC3=CC(=O)C(=CN3)C4=COC=C4)/C(=O)NC2=O

InChI

InChI=1S/C20H14IN3O4/c21-12-1-2-14-15(5-12)17(20(27)24-19(14)26)8-22-7-13-6-18(25)16(9-23-13)11-3-4-28-10-11/h1-6,8-10,22H,7H2,(H,23,25)(H,24,26,27)/b17-8-