O4-tert-butyl O1-ethyl 2-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]amino]butanedioate

Systemtic Name: O4-tert-butyl O1-ethyl 2-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]amino]butanedioate Openeye Name: O4-tert-butyl O1-ethyl 2-(3,5-dibromo-4-hydroxy-anilino)butanedioate CAS Name: 2-(3,5-dibromo-4-hydroxyanilino)butanedioic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl 2-(3,5-dibromo-4-hydroxyanilino)butanedioate Traditional Name: 2-(3,5-dibromo-4-hydroxy-anilino)succinic acid O4-tert-butyl ester O1-ethyl ester Formula: C16H21Br2NO5 MolecularWeight: 467.14964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)OC(C)(C)C)NC1=CC(=C(C(=C1)Br)O)Br

Isomeric SMILES

CCOC(=O)C(CC(=O)OC(C)(C)C)NC1=CC(=C(C(=C1)Br)O)Br

InChI

InChI=1S/C16H21Br2NO5/c1-5-23-15(22)12(8-13(20)24-16(2,3)4)19-9-6-10(17)14(21)11(18)7-9/h6-7,12,19,21H,5,8H2,1-4H3