tert-butyl 2-[[6-(6-chloranyl-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-(6-chloranyl-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(6-chloro-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[(6-chloro-3-phenyl-4-pyridazinyl)oxy]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(6-chloro-3-phenylpyridazin-4-yl)oxy-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(6-chloro-3-phenyl-pyridazin-4-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C21H21ClN6O5 MolecularWeight: 472.88164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC(=NN=C2C3=CC=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC(=NN=C2C3=CC=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN6O5/c1-21(2,3)33-16(29)11-27(4)19-18(28(30)31)20(24-12-23-19)32-14-10-15(22)25-26-17(14)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3