methyl 3-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O5S/c1-20-12(17)4-5-21-7-11(16)14-10-3-2-8(15(18)19)6-9(10)13/h2-3,6H,4-5,7H2,1H3,(H,14,16)