1-(1-adamantyl)-4-bromanyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(1-adamantyl)-4-bromanyl-pyrazole-3-carboxylic acid Openeye Name: 1-(1-adamantyl)-4-bromo-pyrazole-3-carboxylic acid CAS Name: 1-(1-adamantyl)-4-bromo-3-pyrazolecarboxylic acid IUPAC Name: 1-(1-adamantyl)-4-bromopyrazole-3-carboxylic acid Traditional Name: 1-(1-adamantyl)-4-bromo-pyrazole-3-carboxylic acid Formula: C14H17BrN2O2 MolecularWeight: 325.20098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)O)Br

InChI

InChI=1S/C14H17BrN2O2/c15-11-7-17(16-12(11)13(18)19)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,18,19)