5-(5-nitro-1,3-benzoxazol-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(tetrahydrofuran-2-ylmethyl)isoindoline-1,3-dione CAS Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(2-oxolanylmethyl)isoindole-1,3-dione IUPAC Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(tetrahydrofurfuryl)isoindoline-1,3-quinone Formula: C20H15N3O6 MolecularWeight: 393.3496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6/c24-19-14-5-3-11(8-15(14)20(25)22(19)10-13-2-1-7-28-13)18-21-16-9-12(23(26)27)4-6-17(16)29-18/h3-6,8-9,13H,1-2,7,10H2