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

Systemtic Name: 2-(4-nitrophenyl)ethyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: 2-(4-nitrophenyl)ethyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid 2-(4-nitrophenyl)ethyl ester IUPAC Name: 2-(4-nitrophenyl)ethyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid 2-(4-nitrophenyl)ethyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H29NO5/c1-22(2,3)18-13-16(14-19(20(18)25)23(4,5)6)21(26)29-12-11-15-7-9-17(10-8-15)24(27)28/h7-10,13-14,25H,11-12H2,1-6H3