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

Systemtic Name: ethyl 2-[[6-(3-cyano-5-ethoxy-phenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(3-cyano-5-ethoxy-phenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(3-cyano-5-ethoxyphenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-cyano-5-ethoxyphenoxy)-2-(3,5-dinitrophenoxy)-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(3-cyano-5-ethoxy-phenoxy)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C23H19N7O11 MolecularWeight: 569.43726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC(=O)OCC)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC(=O)OCC)OC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C23H19N7O11/c1-3-38-16-5-13(11-24)6-17(10-16)40-22-20(30(36)37)21(25-12-19(31)39-4-2)26-23(27-22)41-18-8-14(28(32)33)7-15(9-18)29(34)35/h5-10H,3-4,12H2,1-2H3,(H,25,26,27)