diethyl 2-[(4-bromophenyl)methyl]-2-(1,2,3-triazol-2-yl)propanedioate

Systemtic Name: diethyl 2-[(4-bromophenyl)methyl]-2-(1,2,3-triazol-2-yl)propanedioate Openeye Name: diethyl 2-[(4-bromophenyl)methyl]-2-(triazol-2-yl)propanedioate CAS Name: 2-[(4-bromophenyl)methyl]-2-(2-triazolyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-bromophenyl)methyl]-2-(triazol-2-yl)propanedioate Traditional Name: 2-(4-bromobenzyl)-2-(triazol-2-yl)malonic acid diethyl ester Formula: C16H18BrN3O4 MolecularWeight: 396.23582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)Br)(C(=O)OCC)N2N=CC=N2

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)Br)(C(=O)OCC)N2N=CC=N2

InChI

InChI=1S/C16H18BrN3O4/c1-3-23-14(21)16(15(22)24-4-2,20-18-9-10-19-20)11-12-5-7-13(17)8-6-12/h5-10H,3-4,11H2,1-2H3