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

Systemtic Name: dimethyl 2-bromanyl-5-[5-(furan-2-yl)-1,2,3,4-tetrazol-2-yl]hexanedioate Openeye Name: dimethyl 2-bromo-5-[5-(2-furyl)tetrazol-2-yl]hexanedioate CAS Name: 2-bromo-5-[5-(2-furanyl)-2-tetrazolyl]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-bromo-5-[5-(furan-2-yl)tetrazol-2-yl]hexanedioate Traditional Name: 2-bromo-5-[5-(2-furyl)tetrazol-2-yl]adipic acid dimethyl ester Formula: C13H15BrN4O5 MolecularWeight: 387.186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)Br)N1N=C(N=N1)C2=CC=CO2

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)Br)N1N=C(N=N1)C2=CC=CO2

InChI

InChI=1S/C13H15BrN4O5/c1-21-12(19)8(14)5-6-9(13(20)22-2)18-16-11(15-17-18)10-4-3-7-23-10/h3-4,7-9H,5-6H2,1-2H3