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

Systemtic Name: 4-[5-ethoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-ethoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-ethoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-ethoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbethoxy-2-keto-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C19H21N3O9 MolecularWeight: 435.38474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CCCC(=O)O)C

InChI

InChI=1S/C19H21N3O9/c1-3-29-18(25)16-10(2)21(6-4-5-15(23)24)19(26)20-17(16)11-7-13-14(31-9-30-13)8-12(11)22(27)28/h7-8,17H,3-6,9H2,1-2H3,(H,20,26)(H,23,24)