4-[6-[2-(2,4-dinitrophenyl)sulfonyloxyphenyl]-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid

Systemtic Name: 4-[6-[2-(2,4-dinitrophenyl)sulfonyloxyphenyl]-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-[2-(2,4-dinitrophenyl)sulfonyloxyphenyl]-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-[2-(2,4-dinitrophenyl)sulfonyloxyphenyl]-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-[2-(2,4-dinitrophenyl)sulfonyloxyphenyl]-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-6-[2-(2,4-dinitrophenyl)sulfonyloxyphenyl]-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C24H24N4O12S MolecularWeight: 592.53196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCCC(=O)O)C

InChI

InChI=1S/C24H24N4O12S/c1-3-39-23(31)21-14(2)26(12-6-9-20(29)30)24(32)25-22(21)16-7-4-5-8-18(16)40-41(37,38)19-11-10-15(27(33)34)13-17(19)28(35)36/h4-5,7-8,10-11,13,22H,3,6,9,12H2,1-2H3,(H,25,32)(H,29,30)