5-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-cinnoline-7-carboxylic acid

Systemtic Name: 5-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-cinnoline-7-carboxylic acid Openeye Name: 5-oxo-3-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-cinnoline-7-carboxylic acid CAS Name: 5-oxo-3-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-cinnoline-7-carboxylic acid IUPAC Name: 5-oxo-3-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-cinnoline-7-carboxylic acid Traditional Name: 5-keto-3-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-cinnoline-7-carboxylic acid Formula: C16H11F3N2O3 MolecularWeight: 336.26535

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=CC(=NN=C21)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(CC(=O)C2=CC(=NN=C21)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H11F3N2O3/c17-16(18,19)10-3-1-2-8(4-10)12-7-11-13(21-20-12)5-9(15(23)24)6-14(11)22/h1-4,7,9H,5-6H2,(H,23,24)