[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C18H12F3N3O4 MolecularWeight: 391.30079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H12F3N3O4/c19-18(20,21)10-4-3-5-11(8-10)22-14(25)9-28-17(27)15-12-6-1-2-7-13(12)16(26)24-23-15/h1-8H,9H2,(H,22,25)(H,24,26)