(2-cyanophenyl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (2-cyanophenyl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (2-cyanophenyl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (2-cyanobenzyl) ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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