(2-chloranyl-4-fluoranyl-phenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl) 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (2-chloro-4-fluorophenyl) ester IUPAC Name: (2-chloro-4-fluorophenyl) 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (2-chloro-4-fluoro-phenyl) ester Formula: C21H12ClFN2O3 MolecularWeight: 394.782983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H12ClFN2O3/c22-17-12-13(23)10-11-18(17)28-21(27)19-15-8-4-5-9-16(15)20(26)25(24-19)14-6-2-1-3-7-14/h1-12H