[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C14H10ClFN4O5S MolecularWeight: 400.769403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClFN4O5S/c1-26-14-17-5-8(15)12(19-14)13(22)25-6-11(21)18-7-2-3-9(16)10(4-7)20(23)24/h2-5H,6H2,1H3,(H,18,21)