3-quinoxalin-2-ylprop-2-ynyl benzoate

Systemtic Name: 3-quinoxalin-2-ylprop-2-ynyl benzoate Openeye Name: 3-quinoxalin-2-ylprop-2-ynyl benzoate CAS Name: benzoic acid 3-(2-quinoxalinyl)prop-2-ynyl ester IUPAC Name: 3-quinoxalin-2-ylprop-2-ynyl benzoate Traditional Name: benzoic acid 3-quinoxalin-2-ylprop-2-ynyl ester Formula: C18H12N2O2 MolecularWeight: 288.30008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC#CC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC#CC2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C18H12N2O2/c21-18(14-7-2-1-3-8-14)22-12-6-9-15-13-19-16-10-4-5-11-17(16)20-15/h1-5,7-8,10-11,13H,12H2