2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-N-prop-2-ynylacetamide Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-N-propargyl-acetamide Formula: C18H12ClF3N2O4 MolecularWeight: 412.74709

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClF3N2O4/c1-2-7-23-17(25)9-11-8-13(4-5-15(11)24(26)27)28-16-6-3-12(10-14(16)19)18(20,21)22/h1,3-6,8,10H,7,9H2,(H,23,25)