(4-pyrazol-1-ylphenyl)methyl 2-chloranylpyridine-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-chloranylpyridine-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid (4-pyrazol-1-ylbenzyl) ester Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)Cl)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC(=C(N=C1)Cl)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H12ClN3O2/c17-15-14(3-1-8-18-15)16(21)22-11-12-4-6-13(7-5-12)20-10-2-9-19-20/h1-10H,11H2