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

Systemtic Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(3,4-dimethylphenoxy)phenyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-(3,4-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=C(C=C1)OC2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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