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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C)C

InChI

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