[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)CC(C)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)CC(C)C)N=N1

InChI

InChI=1S/C16H19N5O3/c1-4-21-13-6-5-11(8-12(13)18-20-21)16(22)23-9-15-17-14(19-24-15)7-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3