(phenylmethyl) 4-azido-3-oxidanyl-azepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-azido-3-oxidanyl-azepane-1-carboxylate Openeye Name: benzyl 4-azido-3-hydroxy-azepane-1-carboxylate CAS Name: 4-azido-3-hydroxy-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-azido-3-hydroxyazepane-1-carboxylate Traditional Name: 4-azido-3-hydroxy-azepane-1-carboxylic acid benzyl ester Formula: C14H18N4O3 MolecularWeight: 290.31772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)OCC2=CC=CC=C2)O)N=[N+]=[N-]

Isomeric SMILES

C1CC(C(CN(C1)C(=O)OCC2=CC=CC=C2)O)N=[N+]=[N-]

InChI

InChI=1S/C14H18N4O3/c15-17-16-12-7-4-8-18(9-13(12)19)14(20)21-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,19H,4,7-10H2