2-[3-[4-chloranyl-2-(4-fluorophenyl)carbonyl-phenyl]prop-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-chloranyl-2-(4-fluorophenyl)carbonyl-phenyl]prop-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-chloro-2-(4-fluorobenzoyl)phenyl]prop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-chloro-2-[(4-fluorophenyl)-oxomethyl]phenyl]prop-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-chloro-2-(4-fluorobenzoyl)phenyl]prop-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-chloro-2-(4-fluorobenzoyl)phenyl]prop-2-ynyl]isoindoline-1,3-quinone Formula: C24H13ClFNO3 MolecularWeight: 417.816323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CC3=C(C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CC3=C(C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H13ClFNO3/c25-17-10-7-15(21(14-17)22(28)16-8-11-18(26)12-9-16)4-3-13-27-23(29)19-5-1-2-6-20(19)24(27)30/h1-2,5-12,14H,13H2