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

Systemtic Name: ethyl 1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H23ClN4O5 MolecularWeight: 434.87342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O5/c1-4-29-20(26)14-6-5-7-24(10-14)18-17(25(27)28)19(23-11-22-18)30-15-8-12(2)16(21)13(3)9-15/h8-9,11,14H,4-7,10H2,1-3H3