[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)COC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=O)COC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6S/c1-20-6-5-14-12(16)8-21-13(17)9-3-4-11(22-2)10(7-9)15(18)19/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)