propyl 4-methylsulfonyl-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S/c1-3-6-18-11(13)8-4-5-10(19(2,16)17)9(7-8)12(14)15/h4-5,7H,3,6H2,1-2H3