(4-tert-butylphenyl)methyl 3-nitrobenzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-nitrobenzoate Openeye Name: (4-tert-butylphenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-tert-butylbenzyl) ester Formula: C18H19NO4 MolecularWeight: 313.34776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-18(2,3)15-9-7-13(8-10-15)12-23-17(20)14-5-4-6-16(11-14)19(21)22/h4-11H,12H2,1-3H3