3-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]ethyl]phthalazin-1-olate Formula: C19H14N3O8- MolecularWeight: 412.32976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O8/c23-16(7-21-19(25)15-4-2-1-3-14(15)18(24)20-21)29-9-12-6-13(22(26)27)5-11-8-28-10-30-17(11)12/h1-6H,7-10H2,(H,20,24)/p-1