methyl 3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-nitroanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-nitroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(3-nitroanilino)ethyl]thio]propionic acid methyl ester Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c1-19-12(16)5-6-20-8-11(15)13-9-3-2-4-10(7-9)14(17)18/h2-4,7H,5-6,8H2,1H3,(H,13,15)