ethyl 1-[6-(6-chloranyl-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(6-chloranyl-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(6-chloro-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(6-chloro-3-phenyl-4-pyridazinyl)oxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(6-chloro-3-phenylpyridazin-4-yl)oxy-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(6-chloro-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H21ClN6O5 MolecularWeight: 484.89234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN=C3C4=CC=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN=C3C4=CC=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN6O5/c1-2-33-22(30)15-8-10-28(11-9-15)20-19(29(31)32)21(25-13-24-20)34-16-12-17(23)26-27-18(16)14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3