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

Systemtic Name: 4-[5-methoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-methoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[5-methoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[5-methoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbomethoxy-2-keto-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C18H19N3O9 MolecularWeight: 421.35816

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O9/c1-9-15(17(24)28-2)16(19-18(25)20(9)5-3-4-14(22)23)10-6-12-13(30-8-29-12)7-11(10)21(26)27/h6-7,16H,3-5,8H2,1-2H3,(H,19,25)(H,22,23)