(4-nitrophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-nitrobenzyl) ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4S/c1-21-13-12(3-2-8-15-13)14(17)20-9-10-4-6-11(7-5-10)16(18)19/h2-8H,9H2,1H3