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

Systemtic Name: ethyl 1-[6-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O5/c1-3-31-20(28)14-8-10-25(11-9-14)19-17(26(29)30)18(21-12-22-19)24-16-6-4-15(5-7-16)23-13(2)27/h4-7,12,14H,3,8-11H2,1-2H3,(H,23,27)(H,21,22,24)