2-[3-(benzotriazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[3-(benzotriazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-[3-(benzotriazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[3-(2-benzotriazolyl)-4-(2-oxiranylmethoxy)phenyl]ethyl ester IUPAC Name: 2-[3-(benzotriazol-2-yl)-4-(oxiran-2-ylmethoxy)phenyl]ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[3-(benzotriazol-2-yl)-4-glycidoxy-phenyl]ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCC1=CC(=C(C=C1)OCC2CO2)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC(=O)CC(=O)OCCC1=CC(=C(C=C1)OCC2CO2)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H21N3O5/c1-14(25)10-21(26)27-9-8-15-6-7-20(29-13-16-12-28-16)19(11-15)24-22-17-4-2-3-5-18(17)23-24/h2-7,11,16H,8-10,12-13H2,1H3