[1-(cyclohexen-1-yl)-2-(methoxycarbonylamino)ethyl] 6-iodanyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-(cyclohexen-1-yl)-2-(methoxycarbonylamino)ethyl] 6-iodanyl-1,3-benzodioxole-5-carboxylate Openeye Name: [1-(cyclohexen-1-yl)-2-(methoxycarbonylamino)ethyl] 6-iodo-1,3-benzodioxole-5-carboxylate CAS Name: 6-iodo-1,3-benzodioxole-5-carboxylic acid [1-(1-cyclohexenyl)-2-(methoxycarbonylamino)ethyl] ester IUPAC Name: [1-(cyclohexen-1-yl)-2-(methoxycarbonylamino)ethyl] 6-iodo-1,3-benzodioxole-5-carboxylate Traditional Name: 6-iodo-piperonylic acid [2-(carbomethoxyamino)-1-(cyclohexen-1-yl)ethyl] ester Formula: C18H20INO6 MolecularWeight: 473.25897

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC(C1=CCCCC1)OC(=O)C2=CC3=C(C=C2I)OCO3

Isomeric SMILES

COC(=O)NCC(C1=CCCCC1)OC(=O)C2=CC3=C(C=C2I)OCO3

InChI

InChI=1S/C18H20INO6/c1-23-18(22)20-9-16(11-5-3-2-4-6-11)26-17(21)12-7-14-15(8-13(12)19)25-10-24-14/h5,7-8,16H,2-4,6,9-10H2,1H3,(H,20,22)