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

Systemtic Name: ditert-butyl 2-[4-chloranyl-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate Openeye Name: ditert-butyl 2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioate CAS Name: 2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-chloro-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioate Traditional Name: 2-[4-chloro-6-(N-phenylanilino)-s-triazin-2-yl]malonic acid ditert-butyl ester Formula: C26H29ClN4O4 MolecularWeight: 496.98586

Click to see the large picture

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

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

InChI

InChI=1S/C26H29ClN4O4/c1-25(2,3)34-21(32)19(22(33)35-26(4,5)6)20-28-23(27)30-24(29-20)31(17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19H,1-6H3