[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2-iodanylbenzoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] 2-iodanylbenzoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C18H16INO5 MolecularWeight: 453.22781

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)COC(=O)C3=CC=CC=C3I

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)COC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C18H16INO5/c19-14-6-2-1-5-13(14)18(22)24-11-17(21)20-9-12-10-23-15-7-3-4-8-16(15)25-12/h1-8,12H,9-11H2,(H,20,21)/t12-/m0/s1