ditert-butyl 2-bromanyl-2-[4-chloranyl-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate

Systemtic Name: ditert-butyl 2-bromanyl-2-[4-chloranyl-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate Openeye Name: ditert-butyl 2-bromo-2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioate CAS Name: 2-bromo-2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-bromo-2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioate Traditional Name: 2-bromo-2-[4-chloro-6-(N-phenylanilino)-s-triazin-2-yl]malonic acid ditert-butyl ester Formula: C26H28BrClN4O4 MolecularWeight: 575.88192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)Cl)N(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)Cl)N(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C26H28BrClN4O4/c1-24(2,3)35-20(33)26(27,21(34)36-25(4,5)6)19-29-22(28)31-23(30-19)32(17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,1-6H3