4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-nitro-8-(trifluoromethyl)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-nitro-8-(trifluoromethyl)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-nitro-8-(trifluoromethyl)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-nitro-8-(trifluoromethyl)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-nitro-8-(trifluoromethyl)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-nitro-8-(trifluoromethyl)quinoline-3-carbonitrile Formula: C17H7ClF4N4O2 MolecularWeight: 410.709693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)[N+](=O)[O-])C(F)(F)F)C#N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)[N+](=O)[O-])C(F)(F)F)C#N)Cl)F

InChI

InChI=1S/C17H7ClF4N4O2/c18-13-3-9(1-2-14(13)19)25-15-8(6-23)7-24-16-11(15)4-10(26(27)28)5-12(16)17(20,21)22/h1-5,7H,(H,24,25)