2-methylpropyl 3-[2-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]propanoate

Systemtic Name: 2-methylpropyl 3-[2-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]propanoate Openeye Name: isobutyl 3-[2-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanoate CAS Name: 3-[2-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[2-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenyl]propanoate Traditional Name: 3-[2-(5-keto-3-methyl-1H-1,2,4-triazol-4-yl)phenyl]propionic acid isobutyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N1C2=CC=CC=C2CCC(=O)OCC(C)C

Isomeric SMILES

CC1=NNC(=O)N1C2=CC=CC=C2CCC(=O)OCC(C)C

InChI

InChI=1S/C16H21N3O3/c1-11(2)10-22-15(20)9-8-13-6-4-5-7-14(13)19-12(3)17-18-16(19)21/h4-7,11H,8-10H2,1-3H3,(H,18,21)