6-chloranyl-7-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-[(4-nitrophenyl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(4-nitrobenzyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H11ClF3NO5 MolecularWeight: 413.73185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H11ClF3NO5/c19-14-7-11-6-13(17(24)25)16(18(20,21)22)28-15(11)8-10(14)5-9-1-3-12(4-2-9)23(26)27/h1-4,6-8,16H,5H2,(H,24,25)