methyl (E)-2-azido-3-[2-iodanyl-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-azido-3-[2-iodanyl-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[allyl(tert-butoxycarbonyl)amino]-2-iodo-phenyl]-2-azido-prop-2-enoate CAS Name: (E)-2-azido-3-[2-iodo-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-prop-2-enylamino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-azido-3-[2-iodo-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[allyl(tert-butoxycarbonyl)amino]-2-iodo-phenyl]-2-azido-acrylic acid methyl ester Formula: C18H21IN4O4 MolecularWeight: 484.28821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC=C)C1=CC=CC(=C1I)C=C(C(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CC=C)C1=CC=CC(=C1I)/C=C(\C(=O)OC)/N=[N+]=[N-]

InChI

InChI=1S/C18H21IN4O4/c1-6-10-23(17(25)27-18(2,3)4)14-9-7-8-12(15(14)19)11-13(21-22-20)16(24)26-5/h6-9,11H,1,10H2,2-5H3/b13-11+