[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidopropanoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C14H17IN2O4 MolecularWeight: 404.20025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CCNC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CCNC(=O)C

InChI

InChI=1S/C14H17IN2O4/c1-9-7-11(15)3-4-12(9)17-13(19)8-21-14(20)5-6-16-10(2)18/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)(H,17,19)