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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate Formula: C18H11F3N3O4- MolecularWeight: 390.29285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3C(F)(F)F)C(=O)[O-]

InChI

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