(4-methylsulfanylphenyl) 4-methoxy-3-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl) 4-methoxy-3-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl) 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [4-(methylthio)phenyl] ester Formula: C15H13NO5S MolecularWeight: 319.33242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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