cyanomethyl 2-(4-nitrophenyl)sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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