[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H14ClFN4O5S MolecularWeight: 464.854663

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClFN4O5S/c1-31-19-22-9-16(24(19)12-4-2-11(21)3-5-12)18(27)30-10-17(26)23-15-7-6-13(25(28)29)8-14(15)20/h2-9H,10H2,1H3,(H,23,26)