[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C17H14INO5 MolecularWeight: 439.20123

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H14INO5/c18-13-4-2-12(3-5-13)17(21)22-9-16(20)19-8-11-1-6-14-15(7-11)24-10-23-14/h1-7H,8-10H2,(H,19,20)