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

Systemtic Name: ethyl 2-[6-[3-(dimethylcarbamoyl)phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-[3-(dimethylcarbamoyl)phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-[3-[dimethylamino(oxo)methyl]phenoxy]-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[3-(dimethylcarbamoyl)phenoxy]-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-[3-(dimethylcarbamoyl)phenoxy]-2-mesyl-5-nitro-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C18H20N4O9S MolecularWeight: 468.4378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)COC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)S(=O)(=O)C

InChI

InChI=1S/C18H20N4O9S/c1-5-29-13(23)10-30-15-14(22(25)26)16(20-18(19-15)32(4,27)28)31-12-8-6-7-11(9-12)17(24)21(2)3/h6-9H,5,10H2,1-4H3