methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-(piperonylamino)ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C18H16N4O6 MolecularWeight: 384.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N4O6/c1-25-18(24)12-3-4-13-14(7-12)22(21-20-13)28-9-17(23)19-8-11-2-5-15-16(6-11)27-10-26-15/h2-7H,8-10H2,1H3,(H,19,23)