2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-1-one

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-1-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-1-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-isoquinolinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-1-one Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]isocarbostyril Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C=CC4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C=CC4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5/c21-18-16-4-2-1-3-12(16)5-6-19(18)9-13-7-15(20(22)23)8-14-10-24-11-25-17(13)14/h1-8H,9-11H2