4-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one

Systemtic Name: 4-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one Openeye Name: 4-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 4-[[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone IUPAC Name: 4-[[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[2-(4,5-dimethoxy-2-nitro-phenyl)ethylamino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C1=O)CO

InChI

InChI=1S/C18H21N3O6/c1-11-18(23)14(13(10-22)8-20-11)9-19-5-4-12-6-16(26-2)17(27-3)7-15(12)21(24)25/h6-9,19,22H,4-5,10H2,1-3H3