[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C16H12INO5 MolecularWeight: 425.17465

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C16H12INO5/c17-11-2-4-12(5-3-11)18-15(19)8-21-16(20)10-1-6-13-14(7-10)23-9-22-13/h1-7H,8-9H2,(H,18,19)