[5-[(4-chlorophenyl)methyl]-1-methyl-pyrazol-4-yl] hydrogen carbonate

Systemtic Name: [5-[(4-chlorophenyl)methyl]-1-methyl-pyrazol-4-yl] hydrogen carbonate Openeye Name: [5-[(4-chlorophenyl)methyl]-1-methyl-pyrazol-4-yl] hydrogen carbonate CAS Name: carbonic acid [5-[(4-chlorophenyl)methyl]-1-methyl-4-pyrazolyl] ester IUPAC Name: [5-[(4-chlorophenyl)methyl]-1-methylpyrazol-4-yl] hydrogen carbonate Traditional Name: carbonic acid [5-(4-chlorobenzyl)-1-methyl-pyrazol-4-yl] ester Formula: C12H11ClN2O3 MolecularWeight: 266.68034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)OC(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=C(C=N1)OC(=O)O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2O3/c1-15-10(11(7-14-15)18-12(16)17)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,16,17)