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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate CAS Name: 1-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate IUPAC Name: 1-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Formula: C16H16ClN2O2- MolecularWeight: 303.76344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(CCCCC3)C(=N2)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(CCCCC3)C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C16H17ClN2O2/c1-10-7-8-11(9-13(10)17)19-14-6-4-2-3-5-12(14)15(18-19)16(20)21/h7-9H,2-6H2,1H3,(H,20,21)/p-1