N-ethoxymethanamide; methyl 2-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: N-ethoxymethanamide; methyl 2-chloranyl-3-methylsulfonyl-benzoate Openeye Name: N-ethoxyformamide; methyl 2-chloro-3-methylsulfonyl-benzoate CAS Name: 2-chloro-3-methylsulfonylbenzoic acid methyl ester; N-ethoxyformamide IUPAC Name: N-ethoxyformamide; methyl 2-chloro-3-methylsulfonylbenzoate Traditional Name: 2-chloro-3-mesyl-benzoic acid methyl ester; N-ethoxyformamide Formula: C12H16ClNO6S MolecularWeight: 337.77654

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Descriptors Computed from Structure

Canonical SMILES:

CCONC=O.COC(=O)C1=C(C(=CC=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CCONC=O.COC(=O)C1=C(C(=CC=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C9H9ClO4S.C3H7NO2/c1-14-9(11)6-4-3-5-7(8(6)10)15(2,12)13;1-2-6-4-3-5/h3-5H,1-2H3;3H,2H2,1H3,(H,4,5)