1-(4-bromanyl-2-chloranyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Openeye Name: 1-(4-bromo-2-chloro-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate CAS Name: 1-(4-bromo-2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate IUPAC Name: 1-(4-bromo-2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Traditional Name: 1-(4-bromo-2-chloro-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Formula: C15H13BrClN2O2- MolecularWeight: 368.63292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrClN2O2/c16-9-6-7-13(11(17)8-9)19-12-5-3-1-2-4-10(12)14(18-19)15(20)21/h6-8H,1-5H2,(H,20,21)/p-1