ethyl 5-methyl-1-(2-prop-2-enoxycarbonylphenyl)-1,2,4-triazole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N1)C)C2=CC=CC=C2C(=O)OCC=C

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)C)C2=CC=CC=C2C(=O)OCC=C

InChI

InChI=1S/C16H17N3O4/c1-4-10-23-15(20)12-8-6-7-9-13(12)19-11(3)17-14(18-19)16(21)22-5-2/h4,6-9H,1,5,10H2,2-3H3