methyl 6-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 6-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 6-[1-(4-chlorophenyl)triazol-4-yl]cyclohexa-1,3-diene-1-carboxylate CAS Name: 6-[1-(4-chlorophenyl)-4-triazolyl]-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-[1-(4-chlorophenyl)triazol-4-yl]cyclohexa-1,3-diene-1-carboxylate Traditional Name: 6-[1-(4-chlorophenyl)triazol-4-yl]cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CCC1C2=CN(N=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=CCC1C2=CN(N=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3O2/c1-22-16(21)14-5-3-2-4-13(14)15-10-20(19-18-15)12-8-6-11(17)7-9-12/h2-3,5-10,13H,4H2,1H3