(4-tert-butyl-2-methyl-phenyl) 4-nitrobenzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 4-nitrobenzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C18H19NO4 MolecularWeight: 313.34776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO4/c1-12-11-14(18(2,3)4)7-10-16(12)23-17(20)13-5-8-15(9-6-13)19(21)22/h5-11H,1-4H3