ethyl 4-[5-nitro-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[4-(trifluoromethyl)anilino]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H19F3N6O4 MolecularWeight: 440.37647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19F3N6O4/c1-2-31-17(28)26-9-7-25(8-10-26)16-14(27(29)30)15(22-11-23-16)24-13-5-3-12(4-6-13)18(19,20)21/h3-6,11H,2,7-10H2,1H3,(H,22,23,24)