ethyl 5-[(phenylmethyl)amino]-2H-1,2,3-triazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN=C1NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NNN=C1NCC2=CC=CC=C2

InChI

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