[1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (2-indan-5-yl-2-keto-1-methyl-ethyl) ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)C3=CC4=C(CCC4)C=C3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)C3=CC4=C(CCC4)C=C3)N=N1

InChI

InChI=1S/C21H21N3O3/c1-3-24-19-10-9-17(12-18(19)22-23-24)21(26)27-13(2)20(25)16-8-7-14-5-4-6-15(14)11-16/h7-13H,3-6H2,1-2H3