10-[3-(trifluoromethyl)phenyl]phenoxazine-4,6-dicarboxylic acid

Systemtic Name: 10-[3-(trifluoromethyl)phenyl]phenoxazine-4,6-dicarboxylic acid Openeye Name: 10-[3-(trifluoromethyl)phenyl]phenoxazine-4,6-dicarboxylic acid CAS Name: 10-[3-(trifluoromethyl)phenyl]phenoxazine-4,6-dicarboxylic acid IUPAC Name: 10-[3-(trifluoromethyl)phenyl]phenoxazine-4,6-dicarboxylic acid Traditional Name: 10-[3-(trifluoromethyl)phenyl]phenoxazine-4,6-dicarboxylic acid Formula: C21H12F3NO5 MolecularWeight: 415.31889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C3=CC=CC(=C3OC4=C(C=CC=C42)C(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C3=CC=CC(=C3OC4=C(C=CC=C42)C(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C21H12F3NO5/c22-21(23,24)11-4-1-5-12(10-11)25-15-8-2-6-13(19(26)27)17(15)30-18-14(20(28)29)7-3-9-16(18)25/h1-10H,(H,26,27)(H,28,29)