2-[1-ethanoyl-3-[(4-methylphenyl)methyl]-5-oxidanylidene-1,2,4-triazol-4-yl]ethyl ethanoate

Systemtic Name: 2-[1-ethanoyl-3-[(4-methylphenyl)methyl]-5-oxidanylidene-1,2,4-triazol-4-yl]ethyl ethanoate Openeye Name: 2-[1-acetyl-5-oxo-3-(p-tolylmethyl)-1,2,4-triazol-4-yl]ethyl acetate CAS Name: acetic acid 2-[1-acetyl-3-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl ester IUPAC Name: 2-[1-acetyl-3-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate Traditional Name: acetic acid 2-[1-acetyl-5-keto-3-(4-methylbenzyl)-1,2,4-triazol-4-yl]ethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN(C(=O)N2CCOC(=O)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN(C(=O)N2CCOC(=O)C)C(=O)C

InChI

InChI=1S/C16H19N3O4/c1-11-4-6-14(7-5-11)10-15-17-19(12(2)20)16(22)18(15)8-9-23-13(3)21/h4-7H,8-10H2,1-3H3