1-[2-(2-oxidanylideneazepan-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2-oxidanylideneazepan-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-oxoazepan-1-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2-oxo-1-azepanyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-oxoazepan-1-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-ketoazepan-1-yl)ethyl]triazole-4-carboxylic acid Formula: C11H16N4O3 MolecularWeight: 252.26974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C11H16N4O3/c16-10-4-2-1-3-5-14(10)6-7-15-8-9(11(17)18)12-13-15/h8H,1-7H2,(H,17,18)