1-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H15F3N2O5S MolecularWeight: 440.39301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H15F3N2O5S/c20-19(21,22)11-6-7-16(15(9-11)24(28)29)30-10-17(25)23-8-2-4-12-13(18(26)27)3-1-5-14(12)23/h1,3,5-7,9H,2,4,8,10H2,(H,26,27)