(phenylmethyl) 2-(2-methylphenyl)-5-nitro-benzoate

Systemtic Name: (phenylmethyl) 2-(2-methylphenyl)-5-nitro-benzoate Openeye Name: benzyl 5-nitro-2-(o-tolyl)benzoate CAS Name: 2-(2-methylphenyl)-5-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-methylphenyl)-5-nitrobenzoate Traditional Name: 5-nitro-2-(o-tolyl)benzoic acid benzyl ester Formula: C21H17NO4 MolecularWeight: 347.36398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H17NO4/c1-15-7-5-6-10-18(15)19-12-11-17(22(24)25)13-20(19)21(23)26-14-16-8-3-2-4-9-16/h2-13H,14H2,1H3