methyl 4-(4-methylphenyl)-5-methylsulfonyl-2-nitro-benzoate

Systemtic Name: methyl 4-(4-methylphenyl)-5-methylsulfonyl-2-nitro-benzoate Openeye Name: methyl 5-methylsulfonyl-2-nitro-4-(p-tolyl)benzoate CAS Name: 4-(4-methylphenyl)-5-methylsulfonyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-5-methylsulfonyl-2-nitrobenzoate Traditional Name: 5-mesyl-2-nitro-4-(p-tolyl)benzoic acid methyl ester Formula: C16H15NO6S MolecularWeight: 349.3584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2S(=O)(=O)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2S(=O)(=O)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c1-10-4-6-11(7-5-10)12-8-14(17(19)20)13(16(18)23-2)9-15(12)24(3,21)22/h4-9H,1-3H3