2-[3-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C28H20N2O6 MolecularWeight: 480.4682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C28H20N2O6/c1-17-9-10-23(13-18(17)2)35-21-7-3-5-19(14-21)29-27(31)25-12-11-24(16-26(25)28(29)32)36-22-8-4-6-20(15-22)30(33)34/h3-16H,1-2H3