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

Systemtic Name: ethyl 2-[2-[3-(aminocarbonylamino)phenoxy]-6-(3-cyano-5-phenoxy-phenoxy)-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(3-cyano-5-phenoxy-phenoxy)-5-nitro-2-(3-ureidophenoxy)pyrimidin-4-yl]oxyacetate CAS Name: 2-[[2-[3-(carbamoylamino)phenoxy]-6-(3-cyano-5-phenoxyphenoxy)-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(carbamoylamino)phenoxy]-6-(3-cyano-5-phenoxyphenoxy)-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(3-cyano-5-phenoxy-phenoxy)-5-nitro-2-(3-ureidophenoxy)pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C28H22N6O9 MolecularWeight: 586.50908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)OC4=CC=CC(=C4)NC(=O)N

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)OC3=CC=CC=C3)C#N)OC4=CC=CC(=C4)NC(=O)N

InChI

InChI=1S/C28H22N6O9/c1-2-39-23(35)16-40-25-24(34(37)38)26(33-28(32-25)43-20-10-6-7-18(13-20)31-27(30)36)42-22-12-17(15-29)11-21(14-22)41-19-8-4-3-5-9-19/h3-14H,2,16H2,1H3,(H3,30,31,36)