bis[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] benzene-1,3-dicarboxylate

Systemtic Name: bis[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] benzene-1,3-dicarboxylate Openeye Name: bis[2-oxo-2-(prop-2-ynylamino)ethyl] benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid bis[2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: bis[2-oxo-2-(prop-2-ynylamino)ethyl] benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid bis[2-keto-2-(propargylamino)ethyl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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