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

Systemtic Name: 6-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[5-ethoxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbethoxy-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7/c1-3-30-19(26)17-13(2)22(11-6-4-5-10-16(24)25)20(27)21-18(17)14-8-7-9-15(12-14)23(28)29/h7-9,12,18H,3-6,10-11H2,1-2H3,(H,21,27)(H,24,25)