dimethyl 2-bromanyl-5-(5-phenyl-1,2,3-triazol-1-yl)hexanedioate

Systemtic Name: dimethyl 2-bromanyl-5-(5-phenyl-1,2,3-triazol-1-yl)hexanedioate Openeye Name: dimethyl 2-bromo-5-(5-phenyltriazol-1-yl)hexanedioate CAS Name: 2-bromo-5-(5-phenyl-1-triazolyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-bromo-5-(5-phenyltriazol-1-yl)hexanedioate Traditional Name: 2-bromo-5-(5-phenyltriazol-1-yl)adipic acid dimethyl ester Formula: C16H18BrN3O4 MolecularWeight: 396.23582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)Br)N1C(=CN=N1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)Br)N1C(=CN=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H18BrN3O4/c1-23-15(21)12(17)8-9-13(16(22)24-2)20-14(10-18-19-20)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3