methyl 2-[[5-(2-chloranyl-4-methylsulfanyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: methyl 2-[[5-(2-chloranyl-4-methylsulfanyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: methyl 2-[5-(2-chloro-4-methylsulfanyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 2-[5-[2-chloro-4-(methylthio)phenoxy]-2-nitroanilino]propanoic acid methyl ester IUPAC Name: methyl 2-[5-(2-chloro-4-methylsulfanylphenoxy)-2-nitroanilino]propanoate Traditional Name: 2-[5-[2-chloro-4-(methylthio)phenoxy]-2-nitro-anilino]propionic acid methyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)SC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2)SC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O5S/c1-10(17(21)24-2)19-14-8-11(4-6-15(14)20(22)23)25-16-7-5-12(26-3)9-13(16)18/h4-10,19H,1-3H3