methyl 3-nitro-2-(phenylsulfonylmethyl)benzoate

Systemtic Name: methyl 3-nitro-2-(phenylsulfonylmethyl)benzoate Openeye Name: methyl 2-(benzenesulfonylmethyl)-3-nitro-benzoate CAS Name: 2-(benzenesulfonylmethyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonylmethyl)-3-nitrobenzoate Traditional Name: 2-(besylmethyl)-3-nitro-benzoic acid methyl ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO6S/c1-22-15(17)12-8-5-9-14(16(18)19)13(12)10-23(20,21)11-6-3-2-4-7-11/h2-9H,10H2,1H3