tert-butyl 3-[4-(4-cyano-3-nitro-phenoxy)-6-(2-ethoxy-2-oxidanylidene-ethoxy)-5-nitro-pyrimidin-2-yl]oxybenzoate

Systemtic Name: tert-butyl 3-[4-(4-cyano-3-nitro-phenoxy)-6-(2-ethoxy-2-oxidanylidene-ethoxy)-5-nitro-pyrimidin-2-yl]oxybenzoate Openeye Name: tert-butyl 3-[4-(4-cyano-3-nitro-phenoxy)-6-(2-ethoxy-2-oxo-ethoxy)-5-nitro-pyrimidin-2-yl]oxybenzoate CAS Name: 3-[[4-(4-cyano-3-nitrophenoxy)-6-(2-ethoxy-2-oxoethoxy)-5-nitro-2-pyrimidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(4-cyano-3-nitrophenoxy)-6-(2-ethoxy-2-oxoethoxy)-5-nitropyrimidin-2-yl]oxybenzoate Traditional Name: 3-[4-(4-cyano-3-nitro-phenoxy)-6-(2-ethoxy-2-keto-ethoxy)-5-nitro-pyrimidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C26H23N5O11 MolecularWeight: 581.48772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=C(C=C2)C#N)[N+](=O)[O-])OC3=CC=CC(=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=C(C=C2)C#N)[N+](=O)[O-])OC3=CC=CC(=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H23N5O11/c1-5-38-20(32)14-39-22-21(31(36)37)23(40-18-10-9-16(13-27)19(12-18)30(34)35)29-25(28-22)41-17-8-6-7-15(11-17)24(33)42-26(2,3)4/h6-12H,5,14H2,1-4H3