8-[2-(3-aminophenyl)ethynyl]-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 8-[2-(3-aminophenyl)ethynyl]-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 8-[2-(3-aminophenyl)ethynyl]-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 8-[2-(3-aminophenyl)ethynyl]-6-chloro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 8-[2-(3-aminophenyl)ethynyl]-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 8-[2-(3-aminophenyl)ethynyl]-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C19H11ClF3NO3 MolecularWeight: 393.74375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C#CC2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)N)C#CC2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C19H11ClF3NO3/c20-13-7-11(5-4-10-2-1-3-14(24)6-10)16-12(8-13)9-15(18(25)26)17(27-16)19(21,22)23/h1-3,6-9,17H,24H2,(H,25,26)