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

Systemtic Name: methyl 3-(2-cyano-4-nitro-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-cyano-4-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(2-cyano-4-nitrophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-cyano-4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(2-cyano-4-nitro-phenyl)thio]propionic acid methyl ester Formula: C11H10N2O4S MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H10N2O4S/c1-17-11(14)4-5-18-10-3-2-9(13(15)16)6-8(10)7-12/h2-3,6H,4-5H2,1H3