1-[2-(2-oxidanylideneazocan-1-yl)ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(2-oxidanylideneazocan-1-yl)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(2-oxoazocan-1-yl)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(2-oxo-1-azocanyl)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(2-oxoazocan-1-yl)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(2-ketoazocan-1-yl)ethyl]triazole-4-carboxylate Formula: C12H17N4O3- MolecularWeight: 265.28838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(C(=O)CC1)CCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C1CCCN(C(=O)CC1)CCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C12H18N4O3/c17-11-5-3-1-2-4-6-15(11)7-8-16-9-10(12(18)19)13-14-16/h9H,1-8H2,(H,18,19)/p-1