[(R)-benzotriazol-1-yl-(4-cyanophenyl)methyl] benzoate

Systemtic Name: [(R)-benzotriazol-1-yl-(4-cyanophenyl)methyl] benzoate Openeye Name: [(R)-benzotriazol-1-yl-(4-cyanophenyl)methyl] benzoate CAS Name: benzoic acid [(R)-1-benzotriazolyl-(4-cyanophenyl)methyl] ester IUPAC Name: [(R)-benzotriazol-1-yl-(4-cyanophenyl)methyl] benzoate Traditional Name: benzoic acid [(R)-benzotriazol-1-yl-(4-cyanophenyl)methyl] ester Formula: C21H14N4O2 MolecularWeight: 354.36146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C2=CC=C(C=C2)C#N)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@H](C2=CC=C(C=C2)C#N)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H14N4O2/c22-14-15-10-12-16(13-11-15)20(27-21(26)17-6-2-1-3-7-17)25-19-9-5-4-8-18(19)23-24-25/h1-13,20H/t20-/m1/s1