methyl 3-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(2-chloro-5-nitro-phenyl)methylsulfanyl]propanoate CAS Name: 3-[(2-chloro-5-nitrophenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-nitrophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(2-chloro-5-nitro-benzyl)thio]propionic acid methyl ester Formula: C11H12ClNO4S MolecularWeight: 289.73528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)CCSCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H12ClNO4S/c1-17-11(14)4-5-18-7-8-6-9(13(15)16)2-3-10(8)12/h2-3,6H,4-5,7H2,1H3