1-[(2S)-pentan-2-yl]benzotriazole-5-carboxylate

Systemtic Name: 1-[(2S)-pentan-2-yl]benzotriazole-5-carboxylate Openeye Name: 1-[(1S)-1-methylbutyl]benzotriazole-5-carboxylate CAS Name: 1-[(2S)-pentan-2-yl]-5-benzotriazolecarboxylate IUPAC Name: 1-[(2S)-pentan-2-yl]benzotriazole-5-carboxylate Traditional Name: 1-[(1S)-1-methylbutyl]benzotriazole-5-carboxylate Formula: C12H14N3O2- MolecularWeight: 232.25846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C2=C(C=C(C=C2)C(=O)[O-])N=N1

Isomeric SMILES

CCC[C@H](C)N1C2=C(C=C(C=C2)C(=O)[O-])N=N1

InChI

InChI=1S/C12H15N3O2/c1-3-4-8(2)15-11-6-5-9(12(16)17)7-10(11)13-14-15/h5-8H,3-4H2,1-2H3,(H,16,17)/p-1/t8-/m0/s1