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

Systemtic Name: 2-[3-[4-chloranyl-2-(phenylcarbonyl)phenyl]prop-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[3-(2-benzoyl-4-chloro-phenyl)prop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[3-(2-benzoyl-4-chlorophenyl)prop-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2-benzoyl-4-chlorophenyl)prop-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[3-(2-benzoyl-4-chloro-phenyl)prop-2-ynyl]isoindoline-1,3-quinone Formula: C24H14ClNO3 MolecularWeight: 399.82586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)C#CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)C#CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H14ClNO3/c25-18-13-12-16(21(15-18)22(27)17-7-2-1-3-8-17)9-6-14-26-23(28)19-10-4-5-11-20(19)24(26)29/h1-5,7-8,10-13,15H,14H2