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

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]benzotriazole-5-carboxylate Openeye Name: 1-[(1R,2S)-2-methylcyclohexyl]benzotriazole-5-carboxylate CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-5-benzotriazolecarboxylate IUPAC Name: 1-[(1R,2S)-2-methylcyclohexyl]benzotriazole-5-carboxylate Traditional Name: 1-[(1R,2S)-2-methylcyclohexyl]benzotriazole-5-carboxylate Formula: C14H16N3O2- MolecularWeight: 258.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C3=C(C=C(C=C3)C(=O)[O-])N=N2

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-9-4-2-3-5-12(9)17-13-7-6-10(14(18)19)8-11(13)15-16-17/h6-9,12H,2-5H2,1H3,(H,18,19)/p-1/t9-,12+/m0/s1