ethyl 5-azanyl-1-[(4-chlorophenyl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[(4-chlorophenyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[(4-chlorophenyl)methyl]triazole-4-carboxylate CAS Name: 5-amino-1-[(4-chlorophenyl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[(4-chlorophenyl)methyl]triazole-4-carboxylate Traditional Name: 5-amino-1-(4-chlorobenzyl)triazole-4-carboxylic acid ethyl ester Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O2/c1-2-19-12(18)10-11(14)17(16-15-10)7-8-3-5-9(13)6-4-8/h3-6H,2,7,14H2,1H3