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

Systemtic Name: 4-[6-[2-(3,5-dinitrophenyl)carbonyloxyphenyl]-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-[2-[(3,5-dinitrophenyl)-oxomethoxy]phenyl]-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-6-[2-(3,5-dinitrobenzoyl)oxyphenyl]-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C30H26N4O11 MolecularWeight: 618.54764

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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)OCC4=CC=CC=C4

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)OCC4=CC=CC=C4

InChI

InChI=1S/C30H26N4O11/c1-18-26(29(38)44-17-19-8-3-2-4-9-19)27(31-30(39)32(18)13-7-12-25(35)36)23-10-5-6-11-24(23)45-28(37)20-14-21(33(40)41)16-22(15-20)34(42)43/h2-6,8-11,14-16,27H,7,12-13,17H2,1H3,(H,31,39)(H,35,36)