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

Systemtic Name: dimethyl 2-bromanyl-5-[5-(4-chlorophenyl)-1,2,3,4-tetrazol-2-yl]hexanedioate Openeye Name: dimethyl 2-bromo-5-[5-(4-chlorophenyl)tetrazol-2-yl]hexanedioate CAS Name: 2-bromo-5-[5-(4-chlorophenyl)-2-tetrazolyl]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-bromo-5-[5-(4-chlorophenyl)tetrazol-2-yl]hexanedioate Traditional Name: 2-bromo-5-[5-(4-chlorophenyl)tetrazol-2-yl]adipic acid dimethyl ester Formula: C15H16BrClN4O4 MolecularWeight: 431.66894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrClN4O4/c1-24-14(22)11(16)7-8-12(15(23)25-2)21-19-13(18-20-21)9-3-5-10(17)6-4-9/h3-6,11-12H,7-8H2,1-2H3