4-nitro-2-[2-oxidanylidene-2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-oxidanylidene-2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[2-oxo-2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-oxo-2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-oxo-2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C25H19N3O5 MolecularWeight: 441.43546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CN1C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C(C2=CC=CC=C2CN1C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O5/c29-22(15-27-24(30)19-11-6-12-21(28(32)33)23(19)25(27)31)26-13-17-9-4-5-10-18(17)20(14-26)16-7-2-1-3-8-16/h1-12,20H,13-15H2