methyl 1-(pyrrolidin-1-ylmethyl)benzotriazole-5-carboxylate

Systemtic Name: methyl 1-(pyrrolidin-1-ylmethyl)benzotriazole-5-carboxylate Openeye Name: methyl 1-(pyrrolidin-1-ylmethyl)benzotriazole-5-carboxylate CAS Name: 1-(1-pyrrolidinylmethyl)-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(pyrrolidin-1-ylmethyl)benzotriazole-5-carboxylate Traditional Name: 1-(pyrrolidinomethyl)benzotriazole-5-carboxylic acid methyl ester Formula: C13H16N4O2 MolecularWeight: 260.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(N=N2)CN3CCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(N=N2)CN3CCCC3

InChI

InChI=1S/C13H16N4O2/c1-19-13(18)10-4-5-12-11(8-10)14-15-17(12)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3