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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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