methyl 5-methyl-1-[2-(2-methylprop-2-enoxycarbonyl)phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 5-methyl-1-[2-(2-methylprop-2-enoxycarbonyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: methyl 5-methyl-1-[2-(2-methylallyloxycarbonyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-methyl-1-[2-[2-methylprop-2-enoxy(oxo)methyl]phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-1-[2-(2-methylprop-2-enoxycarbonyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-methyl-1-[2-(2-methylallyloxycarbonyl)phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=CC=C2C(=O)OCC(=C)C)C(=O)OC

Isomeric SMILES

CC1=NC(=NN1C2=CC=CC=C2C(=O)OCC(=C)C)C(=O)OC

InChI

InChI=1S/C16H17N3O4/c1-10(2)9-23-15(20)12-7-5-6-8-13(12)19-11(3)17-14(18-19)16(21)22-4/h5-8H,1,9H2,2-4H3