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

Systemtic Name: 2-(3-nitrophenyl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(3-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(3-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(3-nitrophenyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-(3-nitrophenyl)isoindoline-1,3-quinone Formula: C22H11N3O6 MolecularWeight: 413.33924

Click to see the large picture

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(=CC=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(=CC=C5)[N+](=O)[O-]

InChI

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