methyl 4-(2-methylcyclopentyl)-3-methylsulfonyl-2-nitro-benzoate

Systemtic Name: methyl 4-(2-methylcyclopentyl)-3-methylsulfonyl-2-nitro-benzoate Openeye Name: methyl 4-(2-methylcyclopentyl)-3-methylsulfonyl-2-nitro-benzoate CAS Name: 4-(2-methylcyclopentyl)-3-methylsulfonyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-methylcyclopentyl)-3-methylsulfonyl-2-nitrobenzoate Traditional Name: 3-mesyl-4-(2-methylcyclopentyl)-2-nitro-benzoic acid methyl ester Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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