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

Systemtic Name: ethyl 1-[6-[(3-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c1-3-31-20(27)14-8-10-25(11-9-14)19-17(26(29)30)18(22-13-23-19)24-16-7-5-6-15(12-16)21(28)32-4-2/h5-7,12-14H,3-4,8-11H2,1-2H3,(H,22,23,24)