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

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C20H13F6N3O4 MolecularWeight: 473.325339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H13F6N3O4/c1-29-17(31)14-5-3-2-4-13(14)16(28-29)18(32)33-9-15(30)27-12-7-10(19(21,22)23)6-11(8-12)20(24,25)26/h2-8H,9H2,1H3,(H,27,30)