[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C19H13F3N2O4 MolecularWeight: 390.31273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H13F3N2O4/c20-19(21,22)13-7-3-4-8-14(13)23-16(25)10-28-18(27)15-9-11-5-1-2-6-12(11)17(26)24-15/h1-9H,10H2,(H,23,25)(H,24,26)