2-(3,4-dimethylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-(3,4-dimethylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C22H16N2O5 MolecularWeight: 388.37284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H16N2O5/c1-13-6-7-15(10-14(13)2)23-21(25)19-9-8-18(12-20(19)22(23)26)29-17-5-3-4-16(11-17)24(27)28/h3-12H,1-2H3