4-[5-[[2-nitro-4-(trifluoromethyl)phenyl]amino]pyridin-2-yl]piperazin-2-one

Systemtic Name: 4-[5-[[2-nitro-4-(trifluoromethyl)phenyl]amino]pyridin-2-yl]piperazin-2-one Openeye Name: 4-[5-[2-nitro-4-(trifluoromethyl)anilino]-2-pyridyl]piperazin-2-one CAS Name: 4-[5-[2-nitro-4-(trifluoromethyl)anilino]-2-pyridinyl]-2-piperazinone IUPAC Name: 4-[5-[2-nitro-4-(trifluoromethyl)anilino]pyridin-2-yl]piperazin-2-one Traditional Name: 4-[5-[2-nitro-4-(trifluoromethyl)anilino]-2-pyridyl]piperazin-2-one Formula: C16H14F3N5O3 MolecularWeight: 381.30927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14F3N5O3/c17-16(18,19)10-1-3-12(13(7-10)24(26)27)22-11-2-4-14(21-8-11)23-6-5-20-15(25)9-23/h1-4,7-8,22H,5-6,9H2,(H,20,25)