ethyl 2-(4-methylphenyl)sulfonyl-2-nitro-ethanoate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-2-nitro-ethanoate Openeye Name: ethyl 2-nitro-2-(p-tolylsulfonyl)acetate CAS Name: 2-(4-methylphenyl)sulfonyl-2-nitroacetic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-2-nitroacetate Traditional Name: 2-nitro-2-tosyl-acetic acid ethyl ester Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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