[(1R)-1-cyanoethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C16H11ClN2O4S MolecularWeight: 362.78754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O4S/c1-10(9-18)23-16(20)14-8-12(19(21)22)4-7-15(14)24-13-5-2-11(17)3-6-13/h2-8,10H,1H3/t10-/m1/s1