methyl 2-[[(E)-2-cyano-3-(4-iodophenyl)prop-1-enyl]-ethoxycarbonyl-amino]ethanoate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-iodophenyl)prop-1-enyl]-ethoxycarbonyl-amino]ethanoate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-iodophenyl)prop-1-enyl]-ethoxycarbonyl-amino]acetate CAS Name: 2-[[(E)-2-cyano-3-(4-iodophenyl)prop-1-enyl]-ethoxycarbonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-iodophenyl)prop-1-enyl]-ethoxycarbonylamino]acetate Traditional Name: 2-[carbethoxy-[(E)-2-cyano-3-(4-iodophenyl)prop-1-enyl]amino]acetic acid methyl ester Formula: C16H17IN2O4 MolecularWeight: 428.22165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N(CC(=O)OC)/C=C(\CC1=CC=C(C=C1)I)/C#N

InChI

InChI=1S/C16H17IN2O4/c1-3-23-16(21)19(11-15(20)22-2)10-13(9-18)8-12-4-6-14(17)7-5-12/h4-7,10H,3,8,11H2,1-2H3/b13-10+