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

Systemtic Name: tert-butyl 3-[4-(4-cyano-3-nitro-phenoxy)-6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-2-yl]oxybenzoate Openeye Name: tert-butyl 3-[4-(4-cyano-3-nitro-phenoxy)-6-[(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-2-yl]oxybenzoate CAS Name: 3-[[4-(4-cyano-3-nitrophenoxy)-6-[(2-ethoxy-2-oxoethyl)amino]-5-nitro-2-pyrimidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(4-cyano-3-nitrophenoxy)-6-[(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-2-yl]oxybenzoate Traditional Name: 3-[4-(4-cyano-3-nitro-phenoxy)-6-[(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C26H24N6O10 MolecularWeight: 580.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=CC=CC(=C2)C(=O)OC(C)(C)C)OC3=CC(=C(C=C3)C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=CC=CC(=C2)C(=O)OC(C)(C)C)OC3=CC(=C(C=C3)C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H24N6O10/c1-5-39-20(33)14-28-22-21(32(37)38)23(40-18-10-9-16(13-27)19(12-18)31(35)36)30-25(29-22)41-17-8-6-7-15(11-17)24(34)42-26(2,3)4/h6-12H,5,14H2,1-4H3,(H,28,29,30)