(4-pyrazol-1-ylphenyl)methyl 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H14N6O2 MolecularWeight: 346.34276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)N4C=NN=N4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)N4C=NN=N4

InChI

InChI=1S/C18H14N6O2/c25-18(16-4-1-2-5-17(16)24-13-19-21-22-24)26-12-14-6-8-15(9-7-14)23-11-3-10-20-23/h1-11,13H,12H2