(4-pyrazol-1-ylphenyl)methyl 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C16H15ClN4O2 MolecularWeight: 330.7689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)Cl)C

InChI

InChI=1S/C16H15ClN4O2/c1-11-14(15(17)20(2)19-11)16(22)23-10-12-4-6-13(7-5-12)21-9-3-8-18-21/h3-9H,10H2,1-2H3