[5-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-1H-imidazol-4-yl] hydrogen carbonate

Systemtic Name: [5-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-1H-imidazol-4-yl] hydrogen carbonate Openeye Name: [5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-1H-imidazol-4-yl] hydrogen carbonate CAS Name: carbonic acid [5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-1H-imidazol-4-yl] ester IUPAC Name: [5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-1H-imidazol-4-yl] hydrogen carbonate Traditional Name: carbonic acid [5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-1H-imidazol-4-yl] ester Formula: C15H15ClN2O5 MolecularWeight: 338.743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)CC2=CC3=C(C=C2Cl)OCO3)OC(=O)O

Isomeric SMILES

CCCC1=NC(=C(N1)CC2=CC3=C(C=C2Cl)OCO3)OC(=O)O

InChI

InChI=1S/C15H15ClN2O5/c1-2-3-13-17-10(14(18-13)23-15(19)20)4-8-5-11-12(6-9(8)16)22-7-21-11/h5-6H,2-4,7H2,1H3,(H,17,18)(H,19,20)