methyl (E)-3-[4-iodanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-iodanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-(tert-butoxycarbonylamino)-4-iodo-phenyl]prop-2-enoate CAS Name: (E)-3-[4-iodo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(tert-butoxycarbonylamino)-4-iodo-phenyl]acrylic acid methyl ester Formula: C15H18INO4 MolecularWeight: 403.21219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C=CC(=O)OC)I

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)/C=C/C(=O)OC)I

InChI

InChI=1S/C15H18INO4/c1-15(2,3)21-14(19)17-12-9-10(5-7-11(12)16)6-8-13(18)20-4/h5-9H,1-4H3,(H,17,19)/b8-6+