N-(2,6-dimethoxypyrimidin-4-yl)-3-nitro-benzamide

Systemtic Name: N-(2,6-dimethoxypyrimidin-4-yl)-3-nitro-benzamide Openeye Name: N-(2,6-dimethoxypyrimidin-4-yl)-3-nitro-benzamide CAS Name: N-(2,6-dimethoxy-4-pyrimidinyl)-3-nitrobenzamide IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-3-nitrobenzamide Traditional Name: N-(2,6-dimethoxypyrimidin-4-yl)-3-nitro-benzamide Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

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