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

Systemtic Name: ethyl 2-[[6-(5-cyano-2-ethoxy-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-(5-cyano-2-ethoxy-phenoxy)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-(5-cyano-2-ethoxyphenoxy)-2-methylsulfonyl-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(5-cyano-2-ethoxyphenoxy)-2-methylsulfonyl-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(5-cyano-2-ethoxy-phenoxy)-2-mesyl-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C18H19N5O8S MolecularWeight: 465.43716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NCC(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NCC(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C18H19N5O8S/c1-4-29-12-7-6-11(9-19)8-13(12)31-17-15(23(25)26)16(20-10-14(24)30-5-2)21-18(22-17)32(3,27)28/h6-8H,4-5,10H2,1-3H3,(H,20,21,22)