ethyl 2-[[6-(3-bromanyl-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[6-(3-bromanyl-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(3-bromo-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(3-bromo-5-cyanophenoxy)-2-[3-[dimethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-bromo-5-cyanophenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(3-bromo-5-cyano-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C24H21BrN6O7 MolecularWeight: 585.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN6O7/c1-4-36-19(32)13-27-21-20(31(34)35)22(37-18-9-14(12-26)8-16(25)11-18)29-24(28-21)38-17-7-5-6-15(10-17)23(33)30(2)3/h5-11H,4,13H2,1-3H3,(H,27,28,29)