ethyl 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-(5-cyano-2-methylphenoxy)-2-[3-(1-methyl-2-imidazolyl)phenoxy]-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(5-cyano-2-methylphenoxy)-2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(1-methylimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C26H22N6O7 MolecularWeight: 530.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)C)OC3=CC=CC(=C3)C4=NC=CN4C

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)C)OC3=CC=CC(=C3)C4=NC=CN4C

InChI

InChI=1S/C26H22N6O7/c1-4-36-21(33)15-37-24-22(32(34)35)25(39-20-12-17(14-27)9-8-16(20)2)30-26(29-24)38-19-7-5-6-18(13-19)23-28-10-11-31(23)3/h5-13H,4,15H2,1-3H3