bis[[1-(cyanomethyl)-1,2,3-triazol-4-yl]methyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[[1-(cyanomethyl)-1,2,3-triazol-4-yl]methyl] benzene-1,4-dicarboxylate Openeye Name: bis[[1-(cyanomethyl)triazol-4-yl]methyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[[1-(cyanomethyl)-4-triazolyl]methyl] ester IUPAC Name: bis[[1-(cyanomethyl)triazol-4-yl]methyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[[1-(cyanomethyl)triazol-4-yl]methyl] ester Formula: C18H14N8O4 MolecularWeight: 406.35496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=CN(N=N2)CC#N)C(=O)OCC3=CN(N=N3)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=CN(N=N2)CC#N)C(=O)OCC3=CN(N=N3)CC#N

InChI

InChI=1S/C18H14N8O4/c19-5-7-25-9-15(21-23-25)11-29-17(27)13-1-2-14(4-3-13)18(28)30-12-16-10-26(8-6-20)24-22-16/h1-4,9-10H,7-8,11-12H2