tert-butyl 2-[methyl-[5-nitro-6-(2-oxidanylidenechromen-7-yl)oxy-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(2-oxidanylidenechromen-7-yl)oxy-pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-(2-oxochromen-7-yl)oxy-pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[(2-oxo-1-benzopyran-7-yl)oxy]-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(2-oxochromen-7-yl)oxypyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(2-ketochromen-7-yl)oxy-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=C(C(=NC=N1)OC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7/c1-20(2,3)31-16(26)10-23(4)18-17(24(27)28)19(22-11-21-18)29-13-7-5-12-6-8-15(25)30-14(12)9-13/h5-9,11H,10H2,1-4H3