(2S)-2-(2-cyano-4-nitro-phenyl)sulfanylpropanoate

Systemtic Name: (2S)-2-(2-cyano-4-nitro-phenyl)sulfanylpropanoate Openeye Name: (2S)-2-(2-cyano-4-nitro-phenyl)sulfanylpropanoate CAS Name: (2S)-2-[(2-cyano-4-nitrophenyl)thio]propanoate IUPAC Name: (2S)-2-(2-cyano-4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(2-cyano-4-nitro-phenyl)thio]propionate Formula: C10H7N2O4S- MolecularWeight: 251.23858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C10H8N2O4S/c1-6(10(13)14)17-9-3-2-8(12(15)16)4-7(9)5-11/h2-4,6H,1H3,(H,13,14)/p-1/t6-/m0/s1