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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Openeye Name: 1-(3-chloro-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate CAS Name: 1-(3-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate IUPAC Name: 1-(3-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Traditional Name: 1-(3-chloro-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Formula: C16H16ClN2O2- MolecularWeight: 303.76344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=C(CCCCC3)C(=N2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=C(CCCCC3)C(=N2)C(=O)[O-]

InChI

InChI=1S/C16H17ClN2O2/c1-10-12(17)7-5-9-13(10)19-14-8-4-2-3-6-11(14)15(18-19)16(20)21/h5,7,9H,2-4,6,8H2,1H3,(H,20,21)/p-1