ethyl 5-[(2-aminophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 5-[(2-aminophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 5-[(2-aminophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-[(2-aminophenyl)methyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-aminophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-(2-aminobenzyl)-1H-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=N1)CC2=CC=CC=C2N

Isomeric SMILES

CCOC(=O)C1=NNC(=N1)CC2=CC=CC=C2N

InChI

InChI=1S/C12H14N4O2/c1-2-18-12(17)11-14-10(15-16-11)7-8-5-3-4-6-9(8)13/h3-6H,2,7,13H2,1H3,(H,14,15,16)