(3E)-3-[[(5-chloranylpyridin-2-yl)amino]-oxidanyl-methylidene]-2-prop-2-enyl-isoquinoline-1,4-dione

Systemtic Name: (3E)-3-[[(5-chloranylpyridin-2-yl)amino]-oxidanyl-methylidene]-2-prop-2-enyl-isoquinoline-1,4-dione Openeye Name: (3E)-2-allyl-3-[[(5-chloro-2-pyridyl)amino]-hydroxy-methylene]isoquinoline-1,4-dione CAS Name: (3E)-3-[[(5-chloro-2-pyridinyl)amino]-hydroxymethylidene]-2-prop-2-enylisoquinoline-1,4-dione IUPAC Name: (3E)-3-[[(5-chloropyridin-2-yl)amino]-hydroxymethylidene]-2-prop-2-enylisoquinoline-1,4-dione Traditional Name: (3E)-2-allyl-3-[[(5-chloro-2-pyridyl)amino]-hydroxy-methylene]isoquinoline-1,4-quinone Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(NC2=NC=C(C=C2)Cl)O)C(=O)C3=CC=CC=C3C1=O

Isomeric SMILES

C=CCN1/C(=C(\NC2=NC=C(C=C2)Cl)/O)/C(=O)C3=CC=CC=C3C1=O

InChI

InChI=1S/C18H14ClN3O3/c1-2-9-22-15(17(24)21-14-8-7-11(19)10-20-14)16(23)12-5-3-4-6-13(12)18(22)25/h2-8,10,24H,1,9H2,(H,20,21)/b17-15+