5-nitro-6-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxy-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxy-pyrimidin-4-amine Openeye Name: 5-nitro-6-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxy-pyrimidin-4-amine CAS Name: 5-nitro-6-[[5-(trifluoromethyl)-1-cyclohexa-2,4-dienyl]oxy]-4-pyrimidinamine IUPAC Name: 5-nitro-6-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrimidin-4-amine Traditional Name: [5-nitro-6-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxy-pyrimidin-4-yl]amine Formula: C11H9F3N4O3 MolecularWeight: 302.20937

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC=C1C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

C1C(C=CC=C1C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C11H9F3N4O3/c12-11(13,14)6-2-1-3-7(4-6)21-10-8(18(19)20)9(15)16-5-17-10/h1-3,5,7H,4H2,(H2,15,16,17)