[(1R)-1-cyanoethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C11H10N2O4S MolecularWeight: 266.2731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O4S/c1-7(6-12)17-11(14)8-3-4-10(18-2)9(5-8)13(15)16/h3-5,7H,1-2H3/t7-/m1/s1