4-[[5-methoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-methoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-methoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[5-methoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-methoxycarbonyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbomethoxy-2-keto-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C27H23N3O10S MolecularWeight: 581.55062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H23N3O10S/c1-16-23(26(33)39-2)24(28-27(34)29(16)15-17-11-13-18(14-12-17)25(31)32)19-7-3-5-9-21(19)40-41(37,38)22-10-6-4-8-20(22)30(35)36/h3-14,24H,15H2,1-2H3,(H,28,34)(H,31,32)