bis[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] benzene-1,4-dicarboxylate Openeye Name: bis[2-oxo-2-(prop-2-ynylamino)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: bis[2-oxo-2-(prop-2-ynylamino)ethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[2-keto-2-(propargylamino)ethyl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H16N2O6/c1-3-9-19-15(21)11-25-17(23)13-5-7-14(8-6-13)18(24)26-12-16(22)20-10-4-2/h1-2,5-8H,9-12H2,(H,19,21)(H,20,22)