7-[2-[3-chloranyl-4-(trifluoromethyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 7-[2-[3-chloranyl-4-(trifluoromethyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 7-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 7-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 7-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 7-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Formula: C22H14ClF3N2O5 MolecularWeight: 478.80517

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC2=CC3=C(C=C2)NC4=C(O3)C=C(C=C4C(=O)O)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1CCC2=CC3=C(C=C2)NC4=C(O3)C=C(C=C4C(=O)O)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C22H14ClF3N2O5/c23-16-7-11(3-5-15(16)22(24,25)26)1-2-12-4-6-17-18(8-12)33-19-10-13(28(31)32)9-14(21(29)30)20(19)27-17/h3-10,27H,1-2H2,(H,29,30)