cyanomethyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: cyanomethyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: cyanomethyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid cyanomethyl ester Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O4S/c16-8-9-21-15(18)11-6-7-14(13(10-11)17(19)20)22-12-4-2-1-3-5-12/h1-7,10H,9H2