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

Systemtic Name: 6-[5-ethoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-ethoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[5-ethoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[5-ethoxycarbonyl-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbethoxy-2-keto-4-methyl-6-(6-nitro-1,3-benzodioxol-5-yl)-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C21H25N3O9 MolecularWeight: 463.4379

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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)CCCCCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O9/c1-3-31-20(27)18-12(2)23(8-6-4-5-7-17(25)26)21(28)22-19(18)13-9-15-16(33-11-32-15)10-14(13)24(29)30/h9-10,19H,3-8,11H2,1-2H3,(H,22,28)(H,25,26)