tert-butyl 2-cyano-5-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoate

Systemtic Name: tert-butyl 2-cyano-5-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoate Openeye Name: tert-butyl 2-cyano-5-[6-[(2-ethoxy-2-oxo-ethyl)amino]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoate CAS Name: 2-cyano-5-[[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 2-cyano-5-[6-[(2-ethoxy-2-keto-ethyl)amino]-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid tert-butyl ester Formula: C21H23N5O9S MolecularWeight: 521.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC(=C(C=C2)C#N)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)S(=O)(=O)C)OC2=CC(=C(C=C2)C#N)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O9S/c1-6-33-15(27)11-23-17-16(26(29)30)18(25-20(24-17)36(5,31)32)34-13-8-7-12(10-22)14(9-13)19(28)35-21(2,3)4/h7-9H,6,11H2,1-5H3,(H,23,24,25)