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

Systemtic Name: ethyl 2-[[6-[2-(dimethylcarbamoyl)phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-[2-(dimethylcarbamoyl)phenoxy]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[2-[dimethylamino(oxo)methyl]phenoxy]-2-methylsulfonyl-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[2-(dimethylcarbamoyl)phenoxy]-2-methylsulfonyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[2-(dimethylcarbamoyl)phenoxy]-2-mesyl-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C18H21N5O8S MolecularWeight: 467.45304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC=CC=C2C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC=CC=C2C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O8S/c1-5-30-13(24)10-19-15-14(23(26)27)16(21-18(20-15)32(4,28)29)31-12-9-7-6-8-11(12)17(25)22(2)3/h6-9H,5,10H2,1-4H3,(H,19,20,21)