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

Systemtic Name: 4-[4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C24H23N3O9 MolecularWeight: 497.45412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O9/c1-14-21(23(30)34-12-15-6-3-2-4-7-15)22(25-24(31)26(14)9-5-8-20(28)29)16-10-18-19(36-13-35-18)11-17(16)27(32)33/h2-4,6-7,10-11,22H,5,8-9,12-13H2,1H3,(H,25,31)(H,28,29)