dimethyl 2-azido-5-(5-phenyl-1,2,3,4-tetrazol-2-yl)hexanedioate

Systemtic Name: dimethyl 2-azido-5-(5-phenyl-1,2,3,4-tetrazol-2-yl)hexanedioate Openeye Name: dimethyl 2-azido-5-(5-phenyltetrazol-2-yl)hexanedioate CAS Name: 2-azido-5-(5-phenyl-2-tetrazolyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-azido-5-(5-phenyltetrazol-2-yl)hexanedioate Traditional Name: 2-azido-5-(5-phenyltetrazol-2-yl)adipic acid dimethyl ester Formula: C15H17N7O4 MolecularWeight: 359.33998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N7O4/c1-25-14(23)11(17-20-16)8-9-12(15(24)26-2)22-19-13(18-21-22)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3