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

Systemtic Name: ethyl 1-[5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(2-phenoxyethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-2-29-20(26)15-8-11-24(12-9-15)19-17(25(27)28)18(22-14-23-19)21-10-13-30-16-6-4-3-5-7-16/h3-7,14-15H,2,8-13H2,1H3,(H,21,22,23)