1-[3,5-bis(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxylate IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxylate Formula: C16H11F6N2O2- MolecularWeight: 377.261159

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C16H12F6N2O2/c17-15(18,19)8-5-9(16(20,21)22)7-10(6-8)24-12-4-2-1-3-11(12)13(23-24)14(25)26/h5-7H,1-4H2,(H,25,26)/p-1