[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-(benzotriazol-1-yl)ethanoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H14BrN3O3/c1-11(17(23)12-6-8-13(18)9-7-12)24-16(22)10-21-15-5-3-2-4-14(15)19-20-21/h2-9,11H,10H2,1H3