(2,4-ditert-butylphenyl) 2-nitrobenzoate

Systemtic Name: (2,4-ditert-butylphenyl) 2-nitrobenzoate Openeye Name: (2,4-ditert-butylphenyl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (2,4-ditert-butylphenyl) ester IUPAC Name: (2,4-ditert-butylphenyl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (2,4-ditert-butylphenyl) ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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