1-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O)C

InChI

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