prop-2-enyl 3-methylsulfanyl-5-nitro-benzoate

Systemtic Name: prop-2-enyl 3-methylsulfanyl-5-nitro-benzoate Openeye Name: allyl 3-methylsulfanyl-5-nitro-benzoate CAS Name: 3-(methylthio)-5-nitrobenzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-methylsulfanyl-5-nitrobenzoate Traditional Name: 3-(methylthio)-5-nitro-benzoic acid allyl ester Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S/c1-3-4-16-11(13)8-5-9(12(14)15)7-10(6-8)17-2/h3,5-7H,1,4H2,2H3