[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(benzotriazol-1-yl)propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(benzotriazol-1-yl)propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(benzotriazol-1-yl)propanoate CAS Name: 3-(1-benzotriazolyl)propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate Traditional Name: 3-(benzotriazol-1-yl)propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CCC(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CCC(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O3/c18-13-7-5-12(6-8-13)16(22)11-24-17(23)9-10-21-15-4-2-1-3-14(15)19-20-21/h1-8H,9-11H2