2-[3-(3,4-dimethylphenyl)carbonylphenyl]-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-[3-(3,4-dimethylphenyl)carbonylphenyl]-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-[3-(3,4-dimethylbenzoyl)phenyl]-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-[3-[(3,4-dimethylphenyl)-oxomethyl]phenyl]-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3,4-dimethylbenzoyl)phenyl]-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-[3-(3,4-dimethylbenzoyl)phenyl]-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C30H20N2O6 MolecularWeight: 504.4896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H20N2O6/c1-17-9-10-21(13-18(17)2)27(33)19-5-3-7-23(14-19)31-29(35)25-12-11-22(16-26(25)30(31)36)28(34)20-6-4-8-24(15-20)32(37)38/h3-16H,1-2H3