(5S)-1-(3-chloranyl-4-methyl-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (5S)-1-(3-chloranyl-4-methyl-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (5S)-1-(3-chloro-4-methyl-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: (5S)-1-(3-chloro-4-methylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate IUPAC Name: (5S)-1-(3-chloro-4-methylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: (5S)-1-(3-chloro-4-methyl-phenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate Formula: C16H16ClN2O2- MolecularWeight: 303.76344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NN2C3=CC(=C(C=C3)C)Cl)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NN2C3=CC(=C(C=C3)C)Cl)C(=O)[O-]

InChI

InChI=1S/C16H17ClN2O2/c1-9-3-6-14-12(7-9)15(16(20)21)18-19(14)11-5-4-10(2)13(17)8-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,20,21)/p-1/t9-/m0/s1