phenacyl 2-(4-iodanyl-2-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: phenacyl 2-(4-iodanyl-2-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: phenacyl 2-(4-iodo-2-methyl-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-iodo-2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-iodo-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-iodo-2-methyl-phenyl)-1,3-diketo-isoindoline-5-carboxylic acid phenacyl ester Formula: C24H16INO5 MolecularWeight: 525.29201

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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)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H16INO5/c1-14-11-17(25)8-10-20(14)26-22(28)18-9-7-16(12-19(18)23(26)29)24(30)31-13-21(27)15-5-3-2-4-6-15/h2-12H,13H2,1H3