dimethyl 2-bromanyl-5-[5-(phenylmethyl)-1,2,3,4-tetrazol-2-yl]hexanedioate

Systemtic Name: dimethyl 2-bromanyl-5-[5-(phenylmethyl)-1,2,3,4-tetrazol-2-yl]hexanedioate Openeye Name: dimethyl 2-(5-benzyltetrazol-2-yl)-5-bromo-hexanedioate CAS Name: 2-bromo-5-[5-(phenylmethyl)-2-tetrazolyl]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(5-benzyltetrazol-2-yl)-5-bromohexanedioate Traditional Name: 2-(5-benzyltetrazol-2-yl)-5-bromo-adipic acid dimethyl ester Formula: C16H19BrN4O4 MolecularWeight: 411.25046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)Br)N1N=C(N=N1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)Br)N1N=C(N=N1)CC2=CC=CC=C2

InChI

InChI=1S/C16H19BrN4O4/c1-24-15(22)12(17)8-9-13(16(23)25-2)21-19-14(18-20-21)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3