ethyl 1-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-4-29-21(26)16-6-5-11-24(12-16)19-18(25(27)28)20(23-13-22-19)30-17-9-7-15(8-10-17)14(2)3/h7-10,13-14,16H,4-6,11-12H2,1-3H3