2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-methoxy-pyrimidine

Systemtic Name: 2-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-methoxy-pyrimidine Openeye Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-methoxy-pyrimidine CAS Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-4-methoxypyrimidine IUPAC Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-4-methoxypyrimidine Traditional Name: 2-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazino]-4-methoxy-pyrimidine Formula: C16H15ClF3N5O3 MolecularWeight: 417.77021

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)C3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)C3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClF3N5O3/c1-28-14-2-3-21-15(22-14)24-6-4-23(5-7-24)12-9-11(17)10(16(18,19)20)8-13(12)25(26)27/h2-3,8-9H,4-7H2,1H3