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

Systemtic Name: dimethyl 2-azido-5-(4-phenyl-1,2,3-triazol-1-yl)hexanedioate Openeye Name: dimethyl 2-azido-5-(4-phenyltriazol-1-yl)hexanedioate CAS Name: 2-azido-5-(4-phenyl-1-triazolyl)hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-azido-5-(4-phenyltriazol-1-yl)hexanedioate Traditional Name: 2-azido-5-(4-phenyltriazol-1-yl)adipic acid dimethyl ester Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(C(=O)OC)N1C=C(N=N1)C2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)N1C=C(N=N1)C2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C16H18N6O4/c1-25-15(23)12(18-20-17)8-9-14(16(24)26-2)22-10-13(19-21-22)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3