ethyl 5-chloranyl-1-(phenylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-chloranyl-1-(phenylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-chloro-triazole-4-carboxylate CAS Name: 5-chloro-1-(phenylmethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-chlorotriazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-triazole-4-carboxylic acid ethyl ester Formula: C12H12ClN3O2 MolecularWeight: 265.69558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-11(13)16(15-14-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3