N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-6-keto-1H-pyridine-3-carboxamide Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC(=O)C2=CNC(=O)C=C2)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c18-12(9-1-4-11(5-2-9)17(21)22)8-16-14(20)10-3-6-13(19)15-7-10/h1-7,12,18H,8H2,(H,15,19)(H,16,20)/t12-/m1/s1