6-[[(4,6-dimethoxypyrimidin-2-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(4,6-dimethoxypyrimidin-2-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4,6-dimethoxypyrimidin-2-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(4,6-dimethoxy-2-pyrimidinyl)amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4,6-dimethoxypyrimidin-2-yl)amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4,6-dimethoxypyrimidin-2-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C13H12N4O5/c1-21-11-6-12(22-2)16-13(15-11)14-7-8-5-9(17(19)20)3-4-10(8)18/h3-7H,1-2H3,(H,14,15,16)