(4-pyrazol-1-ylphenyl)methyl 4-cyanobenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-cyanobenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O2/c19-12-14-2-6-16(7-3-14)18(22)23-13-15-4-8-17(9-5-15)21-11-1-10-20-21/h1-11H,13H2