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

Systemtic Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-nitrobenzoyl)oxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-ethoxycarbonyl-4-methyl-6-[2-(4-nitrobenzoyl)oxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-2-keto-4-methyl-6-[2-(4-nitrobenzoyl)oxyphenyl]-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C25H25N3O9 MolecularWeight: 511.4807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O9/c1-3-36-24(32)21-15(2)27(14-6-9-20(29)30)25(33)26-22(21)18-7-4-5-8-19(18)37-23(31)16-10-12-17(13-11-16)28(34)35/h4-5,7-8,10-13,22H,3,6,9,14H2,1-2H3,(H,26,33)(H,29,30)