ethyl 1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H21ClN4O5 MolecularWeight: 420.84684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O5/c1-3-28-19(25)13-6-8-23(9-7-13)17-16(24(26)27)18(22-11-21-17)29-14-4-5-15(20)12(2)10-14/h4-5,10-11,13H,3,6-9H2,1-2H3