diethyl 5-[[2,4-dinitro-6-(trifluoromethyl)phenyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[2,4-dinitro-6-(trifluoromethyl)phenyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2,4-dinitro-6-(trifluoromethyl)anilino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[2,4-dinitro-6-(trifluoromethyl)anilino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2,4-dinitro-6-(trifluoromethyl)anilino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2,4-dinitro-6-(trifluoromethyl)anilino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H16F3N3O8S MolecularWeight: 491.39515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N3O8S/c1-4-31-16(25)12-8(3)14(17(26)32-5-2)33-15(12)22-13-10(18(19,20)21)6-9(23(27)28)7-11(13)24(29)30/h6-7,22H,4-5H2,1-3H3