[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C12H15IN2O3 MolecularWeight: 362.16357

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)I)N

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)I)N

InChI

InChI=1S/C12H15IN2O3/c1-7(2)15-11(16)6-18-12(17)9-5-8(13)3-4-10(9)14/h3-5,7H,6,14H2,1-2H3,(H,15,16)