(2-tert-butyl-4-methyl-phenyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 4-methyl-3-nitro-benzoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C19H21NO4 MolecularWeight: 327.37434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-12-6-9-17(15(10-12)19(3,4)5)24-18(21)14-8-7-13(2)16(11-14)20(22)23/h6-11H,1-5H3