8-[2-[3-chloranyl-4-(trifluoromethyl)phenyl]ethyl]-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 8-[2-[3-chloranyl-4-(trifluoromethyl)phenyl]ethyl]-10H-phenoxazine-1-carboxylic acid Openeye Name: 8-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-10H-phenoxazine-1-carboxylic acid CAS Name: 8-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-10H-phenoxazine-1-carboxylic acid IUPAC Name: 8-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-10H-phenoxazine-1-carboxylic acid Traditional Name: 8-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-10H-phenoxazine-1-carboxylic acid Formula: C22H15ClF3NO3 MolecularWeight: 433.80761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC3=C(N2)C=C(C=C3)CCC4=CC(=C(C=C4)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)OC3=C(N2)C=C(C=C3)CCC4=CC(=C(C=C4)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C22H15ClF3NO3/c23-16-10-12(6-8-15(16)22(24,25)26)4-5-13-7-9-18-17(11-13)27-20-14(21(28)29)2-1-3-19(20)30-18/h1-3,6-11,27H,4-5H2,(H,28,29)