[1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H15ClF3N3O4 MolecularWeight: 453.79901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H15ClF3N3O4/c1-10(17(28)25-15-9-11(20(22,23)24)7-8-14(15)21)31-19(30)16-12-5-3-4-6-13(12)18(29)27(2)26-16/h3-10H,1-2H3,(H,25,28)