[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-(4-pyridyl)ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-pyridin-4-ylethyl] ester IUPAC Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-pyridin-4-ylethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [(1S)-2-keto-2-(piperonylamino)-1-(4-pyridyl)ethyl] ester Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(C3=CC=NC=C3)OC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](C3=CC=NC=C3)OC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O5/c22-18-4-2-15(11-24-18)21(27)30-19(14-5-7-23-8-6-14)20(26)25-10-13-1-3-16-17(9-13)29-12-28-16/h1-9,11,19H,10,12H2,(H,25,26)/t19-/m0/s1