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

Systemtic Name: 7-[[3-chloranyl-4-(trifluoromethyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 7-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 7-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 7-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 7-[3-chloro-4-(trifluoromethyl)benzyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Formula: C21H12ClF3N2O5 MolecularWeight: 464.77859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=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=C1CC2=CC3=C(C=C2)NC4=C(O3)C=C(C=C4C(=O)O)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C21H12ClF3N2O5/c22-15-6-10(1-3-14(15)21(23,24)25)5-11-2-4-16-17(7-11)32-18-9-12(27(30)31)8-13(20(28)29)19(18)26-16/h1-4,6-9,26H,5H2,(H,28,29)