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

Systemtic Name: (4Z)-6-iodanyl-4-[[(4-oxidanylidene-5-propoxy-1H-pyridin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-6-iodo-4-[[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylamino]methylene]isoquinoline-1,3-dione CAS Name: (4Z)-6-iodo-4-[[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-6-iodo-4-[[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylamino]methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-6-iodo-4-[[(4-keto-5-propoxy-1H-pyridin-2-yl)methylamino]methylene]isoquinoline-1,3-quinone Formula: C19H18IN3O4 MolecularWeight: 479.26839

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CNC(=CC1=O)CNC=C2C3=C(C=CC(=C3)I)C(=O)NC2=O

Isomeric SMILES

CCCOC1=CNC(=CC1=O)CN/C=C\2/C3=C(C=CC(=C3)I)C(=O)NC2=O

InChI

InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)/b15-9-