(3E)-6-iodanyl-3-[[(4-methylphenyl)methylamino]-oxidanyl-methylidene]isoquinoline-1,4-dione

Systemtic Name: (3E)-6-iodanyl-3-[[(4-methylphenyl)methylamino]-oxidanyl-methylidene]isoquinoline-1,4-dione Openeye Name: (3E)-3-[hydroxy-(p-tolylmethylamino)methylene]-6-iodo-isoquinoline-1,4-dione CAS Name: (3E)-3-[hydroxy-[(4-methylphenyl)methylamino]methylidene]-6-iodoisoquinoline-1,4-dione IUPAC Name: (3E)-3-[hydroxy-[(4-methylphenyl)methylamino]methylidene]-6-iodoisoquinoline-1,4-dione Traditional Name: (3E)-3-[hydroxy-[(4-methylbenzyl)amino]methylene]-6-iodo-isoquinoline-1,4-quinone Formula: C18H15IN2O3 MolecularWeight: 434.22777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=C2C(=O)C3=C(C=CC(=C3)I)C(=O)N2)O

Isomeric SMILES

CC1=CC=C(C=C1)CN/C(=C\2/C(=O)C3=C(C=CC(=C3)I)C(=O)N2)/O

InChI

InChI=1S/C18H15IN2O3/c1-10-2-4-11(5-3-10)9-20-18(24)15-16(22)14-8-12(19)6-7-13(14)17(23)21-15/h2-8,20,24H,9H2,1H3,(H,21,23)/b18-15+