1-[3-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H18N4O4 MolecularWeight: 378.38132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H18N4O4/c1-3-14-7-9-17(10-8-14)28-20-18(24(26)27)19(21-12-22-20)23-16-6-4-5-15(11-16)13(2)25/h4-12H,3H2,1-2H3,(H,21,22,23)