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

Systemtic Name: ethyl 5-oxidanylidene-1-(phenylmethyl)-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-oxo-2H-triazole-4-carboxylate CAS Name: 5-oxo-1-(phenylmethyl)-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-oxo-2H-triazole-4-carboxylate Traditional Name: 1-benzyl-5-keto-2H-triazole-4-carboxylic acid ethyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NNN(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O3/c1-2-18-12(17)10-11(16)15(14-13-10)8-9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3