6,7a-ditert-butyl-2-(4-chlorophenyl)-3-phenyl-3,3a-dihydro-1,2-benzoxazole-4,5-dione

Systemtic Name: 6,7a-ditert-butyl-2-(4-chlorophenyl)-3-phenyl-3,3a-dihydro-1,2-benzoxazole-4,5-dione Openeye Name: 6,7a-ditert-butyl-2-(4-chlorophenyl)-3-phenyl-3,3a-dihydro-1,2-benzoxazole-4,5-dione CAS Name: 6,7a-ditert-butyl-2-(4-chlorophenyl)-3-phenyl-3,3a-dihydro-1,2-benzoxazole-4,5-dione IUPAC Name: 6,7a-ditert-butyl-2-(4-chlorophenyl)-3-phenyl-3,3a-dihydro-1,2-benzoxazole-4,5-dione Traditional Name: 6,7a-ditert-butyl-2-(4-chlorophenyl)-3-phenyl-3,3a-dihydroindoxazene-4,5-quinone Formula: C27H30ClNO3 MolecularWeight: 451.985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2(C(C(N(O2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC2(C(C(N(O2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)C1=O)C(C)(C)C

InChI

InChI=1S/C27H30ClNO3/c1-25(2,3)20-16-27(26(4,5)6)21(24(31)23(20)30)22(17-10-8-7-9-11-17)29(32-27)19-14-12-18(28)13-15-19/h7-16,21-22H,1-6H3