[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C13H16INO3 MolecularWeight: 361.17551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC=C(C=C1)I

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C13H16INO3/c1-9(2)7-15-12(16)8-18-13(17)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)