1-(2,4-dinitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(2,4-dinitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-(2,4-dinitrophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-(2,4-dinitrophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(2,4-dinitrophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-(2,4-dinitrophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C17H16F3N5O4 MolecularWeight: 411.33525

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N5O4/c18-17(19,20)12-2-5-16(21-11-12)23-7-1-6-22(8-9-23)14-4-3-13(24(26)27)10-15(14)25(28)29/h2-5,10-11H,1,6-9H2