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

Systemtic Name: 3-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C18H10ClF3N3O4- MolecularWeight: 424.73791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)[O-]

InChI

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