7-[[3-chloranyl-4-(trifluoromethyl)phenyl]methyl]-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 7-[[3-chloranyl-4-(trifluoromethyl)phenyl]methyl]-10H-phenoxazine-1-carboxylic acid Openeye Name: 7-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-10H-phenoxazine-1-carboxylic acid CAS Name: 7-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-10H-phenoxazine-1-carboxylic acid IUPAC Name: 7-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-10H-phenoxazine-1-carboxylic acid Traditional Name: 7-[3-chloro-4-(trifluoromethyl)benzyl]-10H-phenoxazine-1-carboxylic acid Formula: C21H13ClF3NO3 MolecularWeight: 419.78103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC3=C(N2)C=CC(=C3)CC4=CC(=C(C=C4)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)OC3=C(N2)C=CC(=C3)CC4=CC(=C(C=C4)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C21H13ClF3NO3/c22-15-9-11(4-6-14(15)21(23,24)25)8-12-5-7-16-18(10-12)29-17-3-1-2-13(20(27)28)19(17)26-16/h1-7,9-10,26H,8H2,(H,27,28)