1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzotriazole-5-carboxylate

Systemtic Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzotriazole-5-carboxylate Openeye Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzotriazole-5-carboxylate CAS Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-benzotriazolecarboxylate IUPAC Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzotriazole-5-carboxylate Traditional Name: 1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzotriazole-5-carboxylate Formula: C15H18N3O2- MolecularWeight: 272.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C3=C(C=C(C=C3)C(=O)[O-])N=N2

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)N2C3=C(C=C(C=C3)C(=O)[O-])N=N2

InChI

InChI=1S/C15H19N3O2/c1-9-4-3-5-13(10(9)2)18-14-7-6-11(15(19)20)8-12(14)16-17-18/h6-10,13H,3-5H2,1-2H3,(H,19,20)/p-1/t9-,10+,13-/m0/s1