[2-[4-(5-tert-butyl-1,2,3-triazol-1-yl)phenyl]-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [2-[4-(5-tert-butyl-1,2,3-triazol-1-yl)phenyl]-2-oxidanylidene-ethyl] benzoate Openeye Name: [2-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-[4-(5-tert-butyl-1-triazolyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-[4-(5-tert-butyltriazol-1-yl)phenyl]-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CN=NN1C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-21(2,3)19-13-22-23-24(19)17-11-9-15(10-12-17)18(25)14-27-20(26)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3