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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]phthalazin-1-one Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]phthalazin-1-one CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-phthalazinone IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]phthalazin-1-one Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]phthalazin-1-one Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=CC=CC=C4C=N3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=CC=CC=C4C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c21-17-15-4-2-1-3-11(15)7-18-19(17)8-12-5-14(20(22)23)6-13-9-24-10-25-16(12)13/h1-7H,8-10H2