cyanomethyl 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate Openeye Name: cyanomethyl 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-chlorophenyl)thio]-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(4-chlorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-chlorophenyl)thio]-3-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)C(=O)OCC#N)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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