6-chloranyl-7-(4-nitrophenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4-nitrophenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(4-nitrophenoxy)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-7-(4-nitrophenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(4-nitrophenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(4-nitrophenoxy)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C17H11ClF3NO6 MolecularWeight: 417.72055

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=C(C=C21)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(OC2=CC(=C(C=C21)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H11ClF3NO6/c18-12-6-8-5-11(16(23)24)15(17(19,20)21)28-13(8)7-14(12)27-10-3-1-9(2-4-10)22(25)26/h1-4,6-7,11,15H,5H2,(H,23,24)