[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c1-5-20-14-7-6-12(8-13(14)18-19-20)16(22)23-9-15(21)17-11(4)10(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,17,21)