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

Systemtic Name: 3-(4-cyano-2-nitro-phenyl)sulfanylpropanoate Openeye Name: 3-(4-cyano-2-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(4-cyano-2-nitrophenyl)thio]propanoate IUPAC Name: 3-(4-cyano-2-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-cyano-2-nitro-phenyl)thio]propionate Formula: C10H7N2O4S- MolecularWeight: 251.23858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCCC(=O)[O-]

InChI

InChI=1S/C10H8N2O4S/c11-6-7-1-2-9(8(5-7)12(15)16)17-4-3-10(13)14/h1-2,5H,3-4H2,(H,13,14)/p-1