5-(3,4-dimethylphenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindole-1,3-dione

Systemtic Name: 5-(3,4-dimethylphenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindole-1,3-dione Openeye Name: 5-(3,4-dimethylphenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindoline-1,3-dione CAS Name: 5-(3,4-dimethylphenoxy)-2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione IUPAC Name: 5-(3,4-dimethylphenoxy)-2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione Traditional Name: 5-(3,4-dimethylphenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindoline-1,3-quinone Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=C(C=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=C(C=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H18N2O6/c1-13-4-5-16(10-14(13)2)31-17-6-8-18-19(11-17)23(27)24(22(18)26)20-9-7-15(30-3)12-21(20)25(28)29/h4-12H,1-3H3