2-[4-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-[4-(3,4-dimethylphenoxy)phenyl]-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C29H20N2O6 MolecularWeight: 492.4789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=C(C=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)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C29H20N2O6/c1-17-6-10-24(14-18(17)2)37-23-11-8-21(9-12-23)30-28(33)25-13-7-20(16-26(25)29(30)34)27(32)19-4-3-5-22(15-19)31(35)36/h3-16H,1-2H3