3-nitro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]benzaldehyde Openeye Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]benzaldehyde CAS Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]benzaldehyde Traditional Name: 3-nitro-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]benzaldehyde Formula: C17H15F3N4O3 MolecularWeight: 380.32121

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O3/c18-17(19,20)13-2-4-16(21-10-13)23-7-5-22(6-8-23)14-3-1-12(11-25)9-15(14)24(26)27/h1-4,9-11H,5-8H2