diethyl 2-(cyanomethyl)-2-[(Z)-2-iodanyl-3-phenyl-prop-2-enyl]propanedioate

Systemtic Name: diethyl 2-(cyanomethyl)-2-[(Z)-2-iodanyl-3-phenyl-prop-2-enyl]propanedioate Openeye Name: diethyl 2-(cyanomethyl)-2-[(Z)-2-iodo-3-phenyl-allyl]propanedioate CAS Name: 2-(cyanomethyl)-2-[(Z)-2-iodo-3-phenylprop-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(cyanomethyl)-2-[(Z)-2-iodo-3-phenylprop-2-enyl]propanedioate Traditional Name: 2-(cyanomethyl)-2-[(Z)-2-iodo-3-phenyl-allyl]malonic acid diethyl ester Formula: C18H20INO4 MolecularWeight: 441.26017

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#N)(CC(=CC1=CC=CC=C1)I)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC#N)(C/C(=C/C1=CC=CC=C1)/I)C(=O)OCC

InChI

InChI=1S/C18H20INO4/c1-3-23-16(21)18(10-11-20,17(22)24-4-2)13-15(19)12-14-8-6-5-7-9-14/h5-9,12H,3-4,10,13H2,1-2H3/b15-12-