[(E)-3-phenylprop-2-enyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(E)-cinnamyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(E)-cinnamyl] ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO4S/c1-23-16-10-9-14(12-15(16)18(20)21)17(19)22-11-5-8-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3/b8-5+