(4-chloranyl-2-methyl-phenyl) 1-(phenylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1-(phenylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1-benzyltriazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-triazolecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1-benzyltriazole-4-carboxylate Traditional Name: 1-benzyltriazole-4-carboxylic acid (4-chloro-2-methyl-phenyl) ester Formula: C17H14ClN3O2 MolecularWeight: 327.76496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CN(N=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CN(N=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3O2/c1-12-9-14(18)7-8-16(12)23-17(22)15-11-21(20-19-15)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3