5-chloranyl-4-oxidanylidene-1-[4-(trifluoromethyloxy)phenyl]cinnoline-3-carboxylic acid

Systemtic Name: 5-chloranyl-4-oxidanylidene-1-[4-(trifluoromethyloxy)phenyl]cinnoline-3-carboxylic acid Openeye Name: 5-chloro-4-oxo-1-[4-(trifluoromethoxy)phenyl]cinnoline-3-carboxylic acid CAS Name: 5-chloro-4-oxo-1-[4-(trifluoromethoxy)phenyl]-3-cinnolinecarboxylic acid IUPAC Name: 5-chloro-4-oxo-1-[4-(trifluoromethoxy)phenyl]cinnoline-3-carboxylic acid Traditional Name: 5-chloro-4-keto-1-[4-(trifluoromethoxy)phenyl]cinnoline-3-carboxylic acid Formula: C16H8ClF3N2O4 MolecularWeight: 384.69393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)C(=O)C(=NN2C3=CC=C(C=C3)OC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)C(=O)C(=NN2C3=CC=C(C=C3)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C16H8ClF3N2O4/c17-10-2-1-3-11-12(10)14(23)13(15(24)25)21-22(11)8-4-6-9(7-5-8)26-16(18,19)20/h1-7H,(H,24,25)