[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H14INO5 MolecularWeight: 439.20123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H14INO5/c1-10(24-17(21)11-2-4-12(18)5-3-11)16(20)19-13-6-7-14-15(8-13)23-9-22-14/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m0/s1