[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23IN2O3 MolecularWeight: 418.26989

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=C(C=CC(=C1)I)N

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=C(C=CC(=C1)I)N

InChI

InChI=1S/C16H23IN2O3/c1-9(2)19(10(3)4)15(20)11(5)22-16(21)13-8-12(17)6-7-14(13)18/h6-11H,18H2,1-5H3/t11-/m0/s1