tert-butyl 3-methyl-5-oxidanylidene-1-[(E)-1-phenylprop-1-enyl]-1,2,4-triazole-4-carboxylate

Systemtic Name: tert-butyl 3-methyl-5-oxidanylidene-1-[(E)-1-phenylprop-1-enyl]-1,2,4-triazole-4-carboxylate Openeye Name: tert-butyl 3-methyl-5-oxo-1-[(E)-1-phenylprop-1-enyl]-1,2,4-triazole-4-carboxylate CAS Name: 3-methyl-5-oxo-1-[(E)-1-phenylprop-1-enyl]-1,2,4-triazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-5-oxo-1-[(E)-1-phenylprop-1-enyl]-1,2,4-triazole-4-carboxylate Traditional Name: 5-keto-3-methyl-1-[(E)-1-phenylprop-1-enyl]-1,2,4-triazole-4-carboxylic acid tert-butyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=CC=CC=C1)N2C(=O)N(C(=N2)C)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C(\C1=CC=CC=C1)/N2C(=O)N(C(=N2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H21N3O3/c1-6-14(13-10-8-7-9-11-13)20-15(21)19(12(2)18-20)16(22)23-17(3,4)5/h6-11H,1-5H3/b14-6+