[(1R,4S,6R)-4-acetyloxy-6-azido-cyclohept-2-en-1-yl] benzoate

Systemtic Name: [(1R,4S,6R)-4-acetyloxy-6-azido-cyclohept-2-en-1-yl] benzoate Openeye Name: [(1R,4S,6R)-4-acetoxy-6-azido-cyclohept-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,4S,6R)-4-acetyloxy-6-azido-1-cyclohept-2-enyl] ester IUPAC Name: [(1R,4S,6R)-4-acetyloxy-6-azidocyclohept-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,4S,6R)-4-acetoxy-6-azido-cyclohept-2-en-1-yl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC(C=C1)OC(=O)C2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](C[C@H](C=C1)OC(=O)C2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C16H17N3O4/c1-11(20)22-14-7-8-15(10-13(9-14)18-19-17)23-16(21)12-5-3-2-4-6-12/h2-8,13-15H,9-10H2,1H3/t13-,14-,15+/m1/s1