ethyl 1-(1-ethoxy-1-oxidanylidene-propan-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(1-ethoxy-1-oxidanylidene-propan-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(2-ethoxy-1-methyl-2-oxo-ethyl)-5-phenyl-triazole-4-carboxylate CAS Name: 1-(1-ethoxy-1-oxopropan-2-yl)-5-phenyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethoxy-1-oxopropan-2-yl)-5-phenyltriazole-4-carboxylate Traditional Name: 1-(2-ethoxy-2-keto-1-methyl-ethyl)-5-phenyl-triazole-4-carboxylic acid ethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C(C)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C(C)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O4/c1-4-22-15(20)11(3)19-14(12-9-7-6-8-10-12)13(17-18-19)16(21)23-5-2/h6-11H,4-5H2,1-3H3