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

Systemtic Name: 8-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 8-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 8-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 8-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 8-[4-chloro-3-(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=CC2=C(C=C1CC3=CC(=C(C=C3)Cl)C(F)(F)F)NC4=C(O2)C=C(C=C4C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1CC3=CC(=C(C=C3)Cl)C(F)(F)F)NC4=C(O2)C=C(C=C4C(=O)O)[N+](=O)[O-]

InChI

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