6-chloranyl-8-(4-methyl-3-nitro-phenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-(4-methyl-3-nitro-phenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-8-(4-methyl-3-nitro-phenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-8-(4-methyl-3-nitrophenyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-8-(4-methyl-3-nitrophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-8-(4-methyl-3-nitro-phenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H11ClF3NO5 MolecularWeight: 413.73185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H11ClF3NO5/c1-8-2-3-9(6-14(8)23(26)27)12-7-11(19)4-10-5-13(17(24)25)16(18(20,21)22)28-15(10)12/h2-7,16H,1H3,(H,24,25)