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

Systemtic Name: methyl 4-(2-methylcyclopentyl)-5-methylsulfonyl-2-nitro-benzoate Openeye Name: methyl 4-(2-methylcyclopentyl)-5-methylsulfonyl-2-nitro-benzoate CAS Name: 4-(2-methylcyclopentyl)-5-methylsulfonyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-methylcyclopentyl)-5-methylsulfonyl-2-nitrobenzoate Traditional Name: 5-mesyl-4-(2-methylcyclopentyl)-2-nitro-benzoic acid methyl ester Formula: C15H19NO6S MolecularWeight: 341.37946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC1C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1CCCC1C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C15H19NO6S/c1-9-5-4-6-10(9)11-7-13(16(18)19)12(15(17)22-2)8-14(11)23(3,20)21/h7-10H,4-6H2,1-3H3