[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C19H13ClF3N3O4 MolecularWeight: 439.77243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F

InChI

InChI=1S/C19H13ClF3N3O4/c1-26-17(28)11-6-3-2-5-10(11)15(25-26)18(29)30-9-14(27)24-16-12(19(21,22)23)7-4-8-13(16)20/h2-8H,9H2,1H3,(H,24,27)