(4-chloranyl-3-nitro-phenyl) 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: (4-chloranyl-3-nitro-phenyl) 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: (4-chloro-3-nitro-phenyl) 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid (4-chloro-3-nitrophenyl) ester IUPAC Name: (4-chloro-3-nitrophenyl) 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid (4-chloro-3-nitro-phenyl) ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClNO5/c1-20(2,3)14-9-12(10-15(18(14)24)21(4,5)6)19(25)28-13-7-8-16(22)17(11-13)23(26)27/h7-11,24H,1-6H3