ethyl 1-[6-[ethyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[ethyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(N-ethylanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(N-ethylanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(N-ethylanilino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C20H25N5O4/c1-3-24(16-10-6-5-7-11-16)19-17(25(27)28)18(21-14-22-19)23-12-8-9-15(13-23)20(26)29-4-2/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3