4-nitro-2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-keto-3H-phthalazin-1-yl)methyl]phenyl]-4-nitro-isoindoline-1,3-quinone Formula: C23H14N4O5 MolecularWeight: 426.38106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H14N4O5/c28-21-16-8-2-1-7-15(16)18(24-25-21)12-13-5-3-6-14(11-13)26-22(29)17-9-4-10-19(27(31)32)20(17)23(26)30/h1-11H,12H2,(H,25,28)