(2-nitrophenyl) 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: (2-nitrophenyl) 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: (2-nitrophenyl) 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid (2-nitrophenyl) ester Formula: C21H25NO5 MolecularWeight: 371.4269

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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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-20(2,3)14-11-13(12-15(18(14)23)21(4,5)6)19(24)27-17-10-8-7-9-16(17)22(25)26/h7-12,23H,1-6H3