5-(hydroxymethyl)-2-methyl-4-[[(5-nitro-2-oxidanyl-phenyl)methylamino]methylidene]pyridin-3-one

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[(5-nitro-2-oxidanyl-phenyl)methylamino]methylidene]pyridin-3-one Openeye Name: 5-(hydroxymethyl)-4-[[(2-hydroxy-5-nitro-phenyl)methylamino]methylene]-2-methyl-pyridin-3-one CAS Name: 5-(hydroxymethyl)-4-[[(2-hydroxy-5-nitrophenyl)methylamino]methylidene]-2-methyl-3-pyridinone IUPAC Name: 5-(hydroxymethyl)-4-[[(2-hydroxy-5-nitrophenyl)methylamino]methylidene]-2-methylpyridin-3-one Traditional Name: 4-[[(2-hydroxy-5-nitro-benzyl)amino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C15H15N3O5 MolecularWeight: 317.2967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC2=C(C=CC(=C2)[N+](=O)[O-])O)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCC2=C(C=CC(=C2)[N+](=O)[O-])O)C1=O)CO

InChI

InChI=1S/C15H15N3O5/c1-9-15(21)13(11(8-19)6-17-9)7-16-5-10-4-12(18(22)23)2-3-14(10)20/h2-4,6-7,16,19-20H,5,8H2,1H3