[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C17H15F3N2O5S MolecularWeight: 416.37161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C17H15F3N2O5S/c1-3-13-9(2)6-14(28-13)16(24)27-8-15(23)21-11-5-4-10(17(18,19)20)7-12(11)22(25)26/h4-7H,3,8H2,1-2H3,(H,21,23)