2-[[(3-ethynylphenyl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(3-ethynylphenyl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[(3-ethynylanilino)methyl]isoindoline-1,3-dione CAS Name: 2-[(3-ethynylanilino)methyl]isoindole-1,3-dione IUPAC Name: 2-[(3-ethynylanilino)methyl]isoindole-1,3-dione Traditional Name: 2-[(3-ethynylanilino)methyl]isoindoline-1,3-quinone Formula: C17H12N2O2 MolecularWeight: 276.28938

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C#CC1=CC(=CC=C1)NCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H12N2O2/c1-2-12-6-5-7-13(10-12)18-11-19-16(20)14-8-3-4-9-15(14)17(19)21/h1,3-10,18H,11H2