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

Systemtic Name: 4-nitro-2-[3-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-keto-3,1-benzoxazin-2-yl)phenyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H11N3O6 MolecularWeight: 413.33924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H11N3O6/c26-20-15-8-4-10-17(25(29)30)18(15)21(27)24(20)13-6-3-5-12(11-13)19-23-16-9-2-1-7-14(16)22(28)31-19/h1-11H