methyl 2-[methyl-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-amino]ethanoate

Systemtic Name: methyl 2-[methyl-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-amino]ethanoate Openeye Name: methyl 2-[methyl-(4-methylsulfanyl-3-nitro-benzoyl)amino]acetate CAS Name: 2-[methyl-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[methyl-(4-methylsulfanyl-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[methyl-[4-(methylthio)-3-nitro-benzoyl]amino]acetic acid methyl ester Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-13(7-11(15)19-2)12(16)8-4-5-10(20-3)9(6-8)14(17)18/h4-6H,7H2,1-3H3