O1-tert-butyl O6-ethyl (E)-5-[(5-chloranyl-2-iodanyl-phenyl)amino]hex-2-enedioate

Systemtic Name: O1-tert-butyl O6-ethyl (E)-5-[(5-chloranyl-2-iodanyl-phenyl)amino]hex-2-enedioate Openeye Name: O1-tert-butyl O6-ethyl (E)-5-(5-chloro-2-iodo-anilino)hex-2-enedioate CAS Name: (E)-5-(5-chloro-2-iodoanilino)-2-hexenedioic acid O1-tert-butyl ester O6-ethyl ester IUPAC Name: 1-O-tert-butyl 6-O-ethyl (E)-5-(5-chloro-2-iodoanilino)hex-2-enedioate Traditional Name: (E)-5-(5-chloro-2-iodo-anilino)hex-2-enedioic acid O1-tert-butyl ester O6-ethyl ester Formula: C18H23ClINO4 MolecularWeight: 479.73699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClINO4/c1-5-24-17(23)14(7-6-8-16(22)25-18(2,3)4)21-15-11-12(19)9-10-13(15)20/h6,8-11,14,21H,5,7H2,1-4H3/b8-6+