5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3H-phthalazin-1-olate Formula: C16H9N4O6- MolecularWeight: 353.26586

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC=CC4=C3C(=O)NN=C4[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=NC3=CC=CC4=C3C(=O)NN=C4[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O6/c21-15-9-2-1-3-10(14(9)16(22)19-18-15)17-6-8-4-12-13(26-7-25-12)5-11(8)20(23)24/h1-6H,7H2,(H,18,21)(H,19,22)/p-1