[(1R)-1-[(3aS,7aS)-3a,7a-dihydrobenzotriazol-1-yl]-2-chloranyl-ethyl] ethanoate

Systemtic Name: [(1R)-1-[(3aS,7aS)-3a,7a-dihydrobenzotriazol-1-yl]-2-chloranyl-ethyl] ethanoate Openeye Name: [(1R)-1-[(3aS,7aS)-3a,7a-dihydrobenzotriazol-1-yl]-2-chloro-ethyl] acetate CAS Name: acetic acid [(1R)-1-[(3aS,7aS)-3a,7a-dihydrobenzotriazol-1-yl]-2-chloroethyl] ester IUPAC Name: [(1R)-1-[(3aS,7aS)-3a,7a-dihydrobenzotriazol-1-yl]-2-chloroethyl] acetate Traditional Name: acetic acid [(1R)-1-[(3aS,7aS)-3a,7a-dihydrobenzotriazol-1-yl]-2-chloro-ethyl] ester Formula: C10H12ClN3O2 MolecularWeight: 241.67418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCl)N1C2C=CC=CC2N=N1

Isomeric SMILES

CC(=O)O[C@H](CCl)N1[C@H]2C=CC=C[C@@H]2N=N1

InChI

InChI=1S/C10H12ClN3O2/c1-7(15)16-10(6-11)14-9-5-3-2-4-8(9)12-13-14/h2-5,8-10H,6H2,1H3/t8-,9-,10+/m0/s1