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

Systemtic Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(1-phenylethyl)isoindole-1,3-dione Openeye Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(1-phenylethyl)isoindoline-1,3-dione CAS Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(1-phenylethyl)isoindole-1,3-dione IUPAC Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(1-phenylethyl)isoindole-1,3-dione Traditional Name: 5-(5-nitro-1,3-benzoxazol-2-yl)-2-(1-phenylethyl)isoindoline-1,3-quinone Formula: C23H15N3O5 MolecularWeight: 413.3823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5/c1-13(14-5-3-2-4-6-14)25-22(27)17-9-7-15(11-18(17)23(25)28)21-24-19-12-16(26(29)30)8-10-20(19)31-21/h2-13H,1H3