3-(dimethylcarbamoyl)-5-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid

Systemtic Name: 3-(dimethylcarbamoyl)-5-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Openeye Name: 3-(dimethylcarbamoyl)-5-[6-[(2-ethoxy-2-oxo-ethyl)amino]-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid CAS Name: 3-[dimethylamino(oxo)methyl]-5-[[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfonyl-5-nitro-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 3-(dimethylcarbamoyl)-5-[6-[(2-ethoxy-2-oxoethyl)amino]-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxybenzoic acid Traditional Name: 3-(dimethylcarbamoyl)-5-[6-[(2-ethoxy-2-keto-ethyl)amino]-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-benzoic acid Formula: C19H21N5O10S MolecularWeight: 511.46254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O10S/c1-5-33-13(25)9-20-15-14(24(29)30)16(22-19(21-15)35(4,31)32)34-12-7-10(17(26)23(2)3)6-11(8-12)18(27)28/h6-8H,5,9H2,1-4H3,(H,27,28)(H,20,21,22)