(3-nitrophenyl) 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (3-nitrophenyl) 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (3-nitrophenyl) 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (3-nitrophenyl) ester Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c1-20-14-9-12(22-2)6-7-13(14)15(17)21-11-5-3-4-10(8-11)16(18)19/h3-9H,1-2H3