(2-cyanophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (2-cyanophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (2-cyanophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-cyanobenzyl) ester Formula: C17H12N4O2 MolecularWeight: 304.30278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)C#N

InChI

InChI=1S/C17H12N4O2/c18-9-14-3-1-2-4-15(14)10-23-17(22)13-5-7-16(8-6-13)21-12-19-11-20-21/h1-8,11-12H,10H2