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

Systemtic Name: 4-[6-[2-(3,5-dinitrophenyl)carbonyloxyphenyl]-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-[2-[(3,5-dinitrophenyl)-oxomethoxy]phenyl]-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbomethoxy-6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C24H22N4O11 MolecularWeight: 542.45168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C24H22N4O11/c1-13-20(23(32)38-2)21(25-24(33)26(13)9-5-8-19(29)30)17-6-3-4-7-18(17)39-22(31)14-10-15(27(34)35)12-16(11-14)28(36)37/h3-4,6-7,10-12,21H,5,8-9H2,1-2H3,(H,25,33)(H,29,30)