1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20N4O5/c1-2-12-3-5-14(6-4-12)27-17-15(22(25)26)16(19-11-20-17)21-9-7-13(8-10-21)18(23)24/h3-6,11,13H,2,7-10H2,1H3,(H,23,24)