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

Systemtic Name: 5-azanyl-2-[3-(3,4-dimethylphenoxy)phenyl]isoindole-1,3-dione Openeye Name: 5-amino-2-[3-(3,4-dimethylphenoxy)phenyl]isoindoline-1,3-dione CAS Name: 5-amino-2-[3-(3,4-dimethylphenoxy)phenyl]isoindole-1,3-dione IUPAC Name: 5-amino-2-[3-(3,4-dimethylphenoxy)phenyl]isoindole-1,3-dione Traditional Name: 5-amino-2-[3-(3,4-dimethylphenoxy)phenyl]isoindoline-1,3-quinone Formula: C22H18N2O3 MolecularWeight: 358.38992

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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=C(C=C4)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)N)C

InChI

InChI=1S/C22H18N2O3/c1-13-6-8-18(10-14(13)2)27-17-5-3-4-16(12-17)24-21(25)19-9-7-15(23)11-20(19)22(24)26/h3-12H,23H2,1-2H3