[4-(phenylsulfonyl)phenyl]methyl 2-methyl-3-nitro-benzoate

Systemtic Name: [4-(phenylsulfonyl)phenyl]methyl 2-methyl-3-nitro-benzoate Openeye Name: [4-(benzenesulfonyl)phenyl]methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [4-(benzenesulfonyl)phenyl]methyl ester IUPAC Name: [4-(benzenesulfonyl)phenyl]methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (4-besylbenzyl) ester Formula: C21H17NO6S MolecularWeight: 411.42778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO6S/c1-15-19(8-5-9-20(15)22(24)25)21(23)28-14-16-10-12-18(13-11-16)29(26,27)17-6-3-2-4-7-17/h2-13H,14H2,1H3