1-(3-iodanylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: 1-(3-iodanylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: 1-(3-iodophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(3-iodophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate IUPAC Name: 1-(3-iodophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(3-iodophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Formula: C14H12IN2O2- MolecularWeight: 367.16175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13IN2O2/c15-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(16-17)14(18)19/h3-5,8H,1-2,6-7H2,(H,18,19)/p-1