2-[4-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-2-yl]oxypropanoic acid

Systemtic Name: 2-[4-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-2-yl]oxypropanoic acid Openeye Name: 2-[4-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-2-yl]oxypropanoic acid CAS Name: 2-[[4-[3-[diethylamino(oxo)methyl]phenoxy]-5-nitro-2-pyrimidinyl]oxy]propanoic acid IUPAC Name: 2-[4-[3-(diethylcarbamoyl)phenoxy]-5-nitropyrimidin-2-yl]oxypropanoic acid Traditional Name: 2-[4-[3-(diethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-2-yl]oxypropionic acid Formula: C18H20N4O7 MolecularWeight: 404.374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=NC(=NC=C2[N+](=O)[O-])OC(C)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=NC(=NC=C2[N+](=O)[O-])OC(C)C(=O)O

InChI

InChI=1S/C18H20N4O7/c1-4-21(5-2)16(23)12-7-6-8-13(9-12)29-15-14(22(26)27)10-19-18(20-15)28-11(3)17(24)25/h6-11H,4-5H2,1-3H3,(H,24,25)