[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H16INO5 MolecularWeight: 453.22781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H16INO5/c1-11-8-12(19)6-7-13(11)20-17(21)10-24-18(22)16-9-23-14-4-2-3-5-15(14)25-16/h2-8,16H,9-10H2,1H3,(H,20,21)/t16-/m0/s1