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

Systemtic Name: (4Z)-6-iodanyl-4-[[(5-methoxy-4-oxidanylidene-1H-pyridin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-iodo-4-[[(5-methoxy-4-oxo-1H-pyridin-2-yl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-iodo-4-[[(5-methoxy-4-oxo-1H-pyridin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-iodo-4-[[(5-methoxy-4-oxo-1H-pyridin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-iodo-4-[[(4-keto-5-methoxy-1H-pyridin-2-yl)methylamino]methylene]isoquinoline-1,3-quinone Formula: C17H14IN3O4 MolecularWeight: 451.21523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CNC(=CC1=O)CNC=C2C3=C(C=CC(=C3)I)C(=O)NC2=O

Isomeric SMILES

COC1=CNC(=CC1=O)CN/C=C\2/C3=C(C=CC(=C3)I)C(=O)NC2=O

InChI

InChI=1S/C17H14IN3O4/c1-25-15-8-20-10(5-14(15)22)6-19-7-13-12-4-9(18)2-3-11(12)16(23)21-17(13)24/h2-5,7-8,19H,6H2,1H3,(H,20,22)(H,21,23,24)/b13-7-