5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-4-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylene]-2-methyl-pyridin-3-one CAS Name: 5-(hydroxymethyl)-4-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylidene]-2-methyl-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-4-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylidene]-2-methylpyridin-3-one Traditional Name: 4-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)C1=O)CO

InChI

InChI=1S/C16H17N3O5/c1-10-16(22)14(12(9-20)6-18-10)7-17-8-15(21)11-2-4-13(5-3-11)19(23)24/h2-7,15,17,20-21H,8-9H2,1H3/t15-/m1/s1