4-nitro-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]isoindoline-1,3-quinone Formula: C19H16F3N5O4 MolecularWeight: 435.35665

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H16F3N5O4/c20-19(21,22)12-4-5-15(23-10-12)25-8-6-24(7-9-25)11-26-17(28)13-2-1-3-14(27(30)31)16(13)18(26)29/h1-5,10H,6-9,11H2