tert-butyl 2-[methyl-(5-nitro-6-quinolin-6-yloxy-pyrimidin-4-yl)amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-(5-nitro-6-quinolin-6-yloxy-pyrimidin-4-yl)amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-(6-quinolyloxy)pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-(6-quinolinyloxy)-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-(5-nitro-6-quinolin-6-yloxypyrimidin-4-yl)amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-(6-quinolyloxy)pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC3=C(C=C2)N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC3=C(C=C2)N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5/c1-20(2,3)30-16(26)11-24(4)18-17(25(27)28)19(23-12-22-18)29-14-7-8-15-13(10-14)6-5-9-21-15/h5-10,12H,11H2,1-4H3