2-(4-nitrophenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(4-nitrophenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(4-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(4-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(4-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-(4-nitrophenyl)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=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

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