6-isocyano-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-isocyano-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-isocyano-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-isocyano-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-isocyano-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-isocyano-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C12H8F3NO3 MolecularWeight: 271.19203

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)OC(C(C2)C(=O)O)C(F)(F)F

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)OC(C(C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H8F3NO3/c1-16-7-2-3-9-6(4-7)5-8(11(17)18)10(19-9)12(13,14)15/h2-4,8,10H,5H2,(H,17,18)