N-[3-[6-azanyl-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[3-[6-azanyl-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[3-[[6-amino-4-(trifluoromethyl)-2-pyridyl]oxy]propyl]-2-chloro-5-nitro-benzamide CAS Name: N-[3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[3-[6-amino-4-(trifluoromethyl)pyridin-2-yl]oxypropyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[3-[[6-amino-4-(trifluoromethyl)-2-pyridyl]oxy]propyl]-2-chloro-5-nitro-benzamide Formula: C16H14ClF3N4O4 MolecularWeight: 418.75497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCOC2=CC(=CC(=N2)N)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCOC2=CC(=CC(=N2)N)C(F)(F)F)Cl

InChI

InChI=1S/C16H14ClF3N4O4/c17-12-3-2-10(24(26)27)8-11(12)15(25)22-4-1-5-28-14-7-9(16(18,19)20)6-13(21)23-14/h2-3,6-8H,1,4-5H2,(H2,21,23)(H,22,25)