5-(4-azanylphenoxy)-2-(4-iodanyl-2-methyl-phenyl)isoindole-1,3-dione

Systemtic Name: 5-(4-azanylphenoxy)-2-(4-iodanyl-2-methyl-phenyl)isoindole-1,3-dione Openeye Name: 5-(4-aminophenoxy)-2-(4-iodo-2-methyl-phenyl)isoindoline-1,3-dione CAS Name: 5-(4-aminophenoxy)-2-(4-iodo-2-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(4-aminophenoxy)-2-(4-iodo-2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-aminophenoxy)-2-(4-iodo-2-methyl-phenyl)isoindoline-1,3-quinone Formula: C21H15IN2O3 MolecularWeight: 470.25987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N

InChI

InChI=1S/C21H15IN2O3/c1-12-10-13(22)2-9-19(12)24-20(25)17-8-7-16(11-18(17)21(24)26)27-15-5-3-14(23)4-6-15/h2-11H,23H2,1H3