4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C16H12F3NO5S MolecularWeight: 387.33039

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H12F3NO5S/c17-16(18,19)10-4-3-5-11(8-10)26(23,24)20-9-14(15(21)22)25-13-7-2-1-6-12(13)20/h1-8,14H,9H2,(H,21,22)