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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N5O4 MolecularWeight: 373.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NC3CCCCC3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NC3CCCCC3)N=N1

InChI

InChI=1S/C18H23N5O4/c1-2-23-15-9-8-12(10-14(15)21-22-23)17(25)27-11-16(24)20-18(26)19-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H2,19,20,24,26)