2-cyano-5-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-benzoic acid

Systemtic Name: 2-cyano-5-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-benzoic acid Openeye Name: 2-cyano-5-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-benzoic acid CAS Name: 2-cyano-5-[(2-methoxy-5-nitro-4-pyrimidinyl)oxy]benzoic acid IUPAC Name: 2-cyano-5-(2-methoxy-5-nitropyrimidin-4-yl)oxybenzoic acid Traditional Name: 2-cyano-5-(2-methoxy-5-nitro-pyrimidin-4-yl)oxy-benzoic acid Formula: C13H8N4O6 MolecularWeight: 316.22582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C(=N1)OC2=CC(=C(C=C2)C#N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=NC=C(C(=N1)OC2=CC(=C(C=C2)C#N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O6/c1-22-13-15-6-10(17(20)21)11(16-13)23-8-3-2-7(5-14)9(4-8)12(18)19/h2-4,6H,1H3,(H,18,19)