cyanomethyl 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: cyanomethyl 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: cyanomethyl 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid cyanomethyl ester Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC#N

InChI

InChI=1S/C16H12N4O2/c17-9-10-22-16(21)13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)18-19-20/h1-8H,10-11H2