tert-butyl 3-methyl-5-oxidanylidene-1-(1-phenylethenyl)-1,2,4-triazole-4-carboxylate

Systemtic Name: tert-butyl 3-methyl-5-oxidanylidene-1-(1-phenylethenyl)-1,2,4-triazole-4-carboxylate Openeye Name: tert-butyl 3-methyl-5-oxo-1-(1-phenylvinyl)-1,2,4-triazole-4-carboxylate CAS Name: 3-methyl-5-oxo-1-(1-phenylethenyl)-1,2,4-triazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-5-oxo-1-(1-phenylethenyl)-1,2,4-triazole-4-carboxylate Traditional Name: 5-keto-3-methyl-1-(1-phenylvinyl)-1,2,4-triazole-4-carboxylic acid tert-butyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C(=O)OC(C)(C)C)C(=C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)N1C(=O)OC(C)(C)C)C(=C)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3/c1-11(13-9-7-6-8-10-13)19-14(20)18(12(2)17-19)15(21)22-16(3,4)5/h6-10H,1H2,2-5H3