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

Systemtic Name: [2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C18H11ClF3N3O4 MolecularWeight: 425.74585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClF3N3O4/c19-13-6-5-9(7-12(13)18(20,21)22)23-14(26)8-29-17(28)15-10-3-1-2-4-11(10)16(27)25-24-15/h1-7H,8H2,(H,23,26)(H,25,27)