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

Systemtic Name: dimethyl 2-azido-5-[5-(phenylmethyl)-1,2,3,4-tetrazol-2-yl]hexanedioate Openeye Name: dimethyl 2-azido-5-(5-benzyltetrazol-2-yl)hexanedioate CAS Name: 2-azido-5-[5-(phenylmethyl)-2-tetrazolyl]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-azido-5-(5-benzyltetrazol-2-yl)hexanedioate Traditional Name: 2-azido-5-(5-benzyltetrazol-2-yl)adipic acid dimethyl ester Formula: C16H19N7O4 MolecularWeight: 373.36656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)N1N=C(N=N1)CC2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)N1N=C(N=N1)CC2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C16H19N7O4/c1-26-15(24)12(18-21-17)8-9-13(16(25)27-2)23-20-14(19-22-23)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3