2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)benzoate

Systemtic Name: 2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)benzoate Openeye Name: 2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)benzoate CAS Name: 2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)benzoate IUPAC Name: 2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)benzoate Traditional Name: 2-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)benzoate Formula: C20H17N2O2- MolecularWeight: 317.36118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=CC=C3)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=CC=C3)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C20H18N2O2/c23-20(24)16-11-5-4-10-15(16)19-17-12-6-7-13-18(17)22(21-19)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2,(H,23,24)/p-1