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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O4/c1-5-21-12-7-6-10(8-11(12)19-20-21)14(23)25-9-13(22)17-15(24)18-16(2,3)4/h6-8H,5,9H2,1-4H3,(H2,17,18,22,24)