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

Systemtic Name: ethyl 1-[6-[2-(2-chloranylphenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(2-chlorophenoxy)ethylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[2-(2-chlorophenoxy)ethylamino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H24ClN5O5 MolecularWeight: 449.88806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCOC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCOC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H24ClN5O5/c1-2-30-20(27)14-7-10-25(11-8-14)19-17(26(28)29)18(23-13-24-19)22-9-12-31-16-6-4-3-5-15(16)21/h3-6,13-14H,2,7-12H2,1H3,(H,22,23,24)