(2-nitrophenyl)methyl 3,5-ditert-butylbenzoate

Systemtic Name: (2-nitrophenyl)methyl 3,5-ditert-butylbenzoate Openeye Name: (2-nitrophenyl)methyl 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid (2-nitrobenzyl) ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C22H27NO4/c1-21(2,3)17-11-16(12-18(13-17)22(4,5)6)20(24)27-14-15-9-7-8-10-19(15)23(25)26/h7-13H,14H2,1-6H3