(4-nitrophenyl) 3,5-ditert-butylbenzoate

Systemtic Name: (4-nitrophenyl) 3,5-ditert-butylbenzoate Openeye Name: (4-nitrophenyl) 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid (4-nitrophenyl) ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-20(2,3)15-11-14(12-16(13-15)21(4,5)6)19(23)26-18-9-7-17(8-10-18)22(24)25/h7-13H,1-6H3