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

Systemtic Name: 4-[6-[2-(3,5-dinitrophenyl)carbonyloxyphenyl]-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-[2-[(3,5-dinitrophenyl)-oxomethoxy]phenyl]-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C25H24N4O11 MolecularWeight: 556.47826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CCCC(=O)O)C

InChI

InChI=1S/C25H24N4O11/c1-3-39-24(33)21-14(2)27(10-6-9-20(30)31)25(34)26-22(21)18-7-4-5-8-19(18)40-23(32)15-11-16(28(35)36)13-17(12-15)29(37)38/h4-5,7-8,11-13,22H,3,6,9-10H2,1-2H3,(H,26,34)(H,30,31)