[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C17H13ClINO5 MolecularWeight: 473.64629

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C17H13ClINO5/c18-13-6-10(7-14-16(13)24-5-4-23-14)17(22)25-9-15(21)20-12-3-1-2-11(19)8-12/h1-3,6-8H,4-5,9H2,(H,20,21)