methyl 3-[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(2-nitroanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(2-nitroanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-keto-1-methyl-2-(2-nitroanilino)ethyl]thio]propionic acid methyl ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SCCC(=O)OC

InChI

InChI=1S/C13H16N2O5S/c1-9(21-8-7-12(16)20-2)13(17)14-10-5-3-4-6-11(10)15(18)19/h3-6,9H,7-8H2,1-2H3,(H,14,17)