2-oxidanylidenepropyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: acetonyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid acetonyl ester Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3/c1-13(22)12-24-18(23)16-19-17(14-8-4-2-5-9-14)21(20-16)15-10-6-3-7-11-15/h2-11H,12H2,1H3