2-[4-(2,6-dimethylphenoxy)phenyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[4-(2,6-dimethylphenoxy)phenyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[4-(2,6-dimethylphenoxy)phenyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[4-(2,6-dimethylphenoxy)phenyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[4-(2,6-dimethylphenoxy)phenyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[4-(2,6-dimethylphenoxy)phenyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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