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

Systemtic Name: [(1R)-1-cyanoethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-11(10-17)22-16(19)12-7-8-15(14(9-12)18(20)21)23-13-5-3-2-4-6-13/h2-9,11H,1H3/t11-/m1/s1