tert-butyl 3-[3-(azidomethyl)phenyl]benzoate

Systemtic Name: tert-butyl 3-[3-(azidomethyl)phenyl]benzoate Openeye Name: tert-butyl 3-[3-(azidomethyl)phenyl]benzoate CAS Name: 3-[3-(azidomethyl)phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(azidomethyl)phenyl]benzoate Traditional Name: 3-[3-(azidomethyl)phenyl]benzoic acid tert-butyl ester Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CN=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CN=[N+]=[N-]

InChI

InChI=1S/C18H19N3O2/c1-18(2,3)23-17(22)16-9-5-8-15(11-16)14-7-4-6-13(10-14)12-20-21-19/h4-11H,12H2,1-3H3