ethyl 2-[6-(3-cyano-5-ethoxy-phenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-(3-cyano-5-ethoxy-phenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(3-cyano-5-ethoxy-phenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(3-cyano-5-ethoxyphenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-cyano-5-ethoxyphenoxy)-2-(3,5-dinitrophenoxy)-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(3-cyano-5-ethoxy-phenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C23H18N6O12 MolecularWeight: 570.42202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=C(C(=NC(=N2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OCC(=O)OCC)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=C(C(=NC(=N2)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OCC(=O)OCC)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H18N6O12/c1-3-37-16-5-13(11-24)6-17(10-16)40-22-20(29(35)36)21(39-12-19(30)38-4-2)25-23(26-22)41-18-8-14(27(31)32)7-15(9-18)28(33)34/h5-10H,3-4,12H2,1-2H3