[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H15N5O3 MolecularWeight: 301.3006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCCC#N)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCCC#N)N=N1

InChI

InChI=1S/C14H15N5O3/c1-2-19-12-5-4-10(8-11(12)17-18-19)14(21)22-9-13(20)16-7-3-6-15/h4-5,8H,2-3,7,9H2,1H3,(H,16,20)