[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C16H14N2O5 MolecularWeight: 314.29276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H14N2O5/c19-15(9-21-16(20)12-2-1-5-17-8-12)18-7-11-3-4-13-14(6-11)23-10-22-13/h1-6,8H,7,9-10H2,(H,18,19)