(1-phenylpyrazol-4-yl)methyl 3-cyanobenzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-cyanobenzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC=CC(=C3)C#N

InChI

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