[2-(butylamino)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C13H16INO3 MolecularWeight: 361.17551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=CC=C1)I

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=CC=C1)I

InChI

InChI=1S/C13H16INO3/c1-2-3-7-15-12(16)9-18-13(17)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,15,16)