[(1S)-1-cyanoethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(1S)-1-cyanoethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-1-cyanoethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-1-cyanoethyl] ester Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H](C#N)OC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H14N4O2/c1-12(10-18)23-17(22)14-8-6-13(7-9-14)11-21-16-5-3-2-4-15(16)19-20-21/h2-9,12H,11H2,1H3/t12-/m0/s1