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

Systemtic Name: ethyl 1-[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O6/c1-4-31-20(26)13-7-9-24(10-8-13)19-17(25(27)28)18(21-12-22-19)23-15-6-5-14(29-2)11-16(15)30-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,21,22,23)