2-oxidanylidenepropyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: acetonyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid acetonyl ester Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3/c1-9(17)8-19-13(18)12-10(2)14-16(15-12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3