cyanomethyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: cyanomethyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: cyanomethyl 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid cyanomethyl ester Formula: C15H9ClN2O4S MolecularWeight: 348.76096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#N)Cl

InChI

InChI=1S/C15H9ClN2O4S/c16-10-1-4-12(5-2-10)23-14-6-3-11(18(20)21)9-13(14)15(19)22-8-7-17/h1-6,9H,8H2