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

Systemtic Name: 8-(3-azanyl-4-methyl-phenyl)-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 8-(3-amino-4-methyl-phenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 8-(3-amino-4-methylphenyl)-6-chloro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 8-(3-amino-4-methylphenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 8-(3-amino-4-methyl-phenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H13ClF3NO3 MolecularWeight: 383.74893

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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

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl)N

InChI

InChI=1S/C18H13ClF3NO3/c1-8-2-3-9(6-14(8)23)12-7-11(19)4-10-5-13(17(24)25)16(18(20,21)22)26-15(10)12/h2-7,16H,23H2,1H3,(H,24,25)