[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-chloranylpyridine-2-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=NC=CC(=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C17H15ClN2O5/c1-10(25-17(22)13-7-12(18)4-5-19-13)16(21)20-8-11-2-3-14-15(6-11)24-9-23-14/h2-7,10H,8-9H2,1H3,(H,20,21)/t10-/m1/s1