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

Systemtic Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-4-nitro-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)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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