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

Systemtic Name: 4-[4-methyl-6-(4-nitrophenyl)-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-(4-nitrophenyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O7/c1-15-20(22(29)33-14-16-6-3-2-4-7-16)21(17-9-11-18(12-10-17)26(31)32)24-23(30)25(15)13-5-8-19(27)28/h2-4,6-7,9-12,21H,5,8,13-14H2,1H3,(H,24,30)(H,27,28)