[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c1-24-14-12(3-2-8-16-14)15(20)23-9-13(19)17-10-4-6-11(7-5-10)18(21)22/h2-8H,9H2,1H3,(H,17,19)