1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate

Systemtic Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Openeye Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate CAS Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate IUPAC Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Traditional Name: 1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Formula: C15H14BrN2O2- MolecularWeight: 334.18786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N(N=C2C(=O)[O-])C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC2=C(CC1)N(N=C2C(=O)[O-])C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H15BrN2O2/c16-10-5-4-6-11(9-10)18-13-8-3-1-2-7-12(13)14(17-18)15(19)20/h4-6,9H,1-3,7-8H2,(H,19,20)/p-1