methyl 3-(4-ethanoyl-2-nitro-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-ethanoyl-2-nitro-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(4-acetyl-2-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(4-acetyl-2-nitrophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-acetyl-2-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-acetyl-2-nitro-phenyl)thio]propionic acid methyl ester Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-8(14)9-3-4-11(10(7-9)13(16)17)19-6-5-12(15)18-2/h3-4,7H,5-6H2,1-2H3