propan-2-yl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: propan-2-yl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: isopropyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid isopropyl ester Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO6S/c1-7(2)18-11(13)8-4-5-10(19(3,16)17)9(6-8)12(14)15/h4-7H,1-3H3