3-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C19H10F6N3O4- MolecularWeight: 458.290819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11F6N3O4/c20-18(21,22)9-5-10(19(23,24)25)7-11(6-9)26-14(29)8-28-16(30)13-4-2-1-3-12(13)15(27-28)17(31)32/h1-7H,8H2,(H,26,29)(H,31,32)/p-1