N-(3-iodanylphenyl)-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-(3-iodanylphenyl)-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(3-iodophenyl)-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(3-iodophenyl)-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(3-iodophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(3-iodophenyl)butyramide Formula: C19H17IN2O3 MolecularWeight: 448.25435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C19H17IN2O3/c1-12-7-8-15-16(10-12)19(25)22(18(15)24)9-3-6-17(23)21-14-5-2-4-13(20)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,21,23)