[1-(methylamino)-1-oxidanylidene-propan-2-yl] 5-methylsulfanyl-2-nitro-benzoate

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 5-methylsulfanyl-2-nitro-benzoate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] 5-methylsulfanyl-2-nitro-benzoate CAS Name: 5-(methylthio)-2-nitrobenzoic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] 5-methylsulfanyl-2-nitrobenzoate Traditional Name: 5-(methylthio)-2-nitro-benzoic acid [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-7(11(15)13-2)19-12(16)9-6-8(20-3)4-5-10(9)14(17)18/h4-7H,1-3H3,(H,13,15)