methyl 2-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]acetic acid methyl ester Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-8(20-7-11(15)19-2)12(16)13-9-3-5-10(6-4-9)14(17)18/h3-6,8H,7H2,1-2H3,(H,13,16)