1-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c1-12(2)13-3-5-15(6-4-13)28-18-16(23(26)27)17(20-11-21-18)22-9-7-14(8-10-22)19(24)25/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,25)