N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]pyridine-4-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]pyridine-4-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]pyridine-4-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]pyridine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]isonicotinamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC(=O)C3=CC=NC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](CO)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H17N3O5/c21-9-13(20-16(22)12-3-5-18-6-4-12)17(23)19-8-11-1-2-14-15(7-11)25-10-24-14/h1-7,13,21H,8-10H2,(H,19,23)(H,20,22)/t13-/m0/s1