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

Systemtic Name: 6-chloranyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 6-chloro-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 6-chloro-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 6-chloro-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 6-chloro-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C16H11ClF3NO5S MolecularWeight: 421.77545

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H11ClF3NO5S/c17-10-4-5-13-12(7-10)21(8-14(26-13)15(22)23)27(24,25)11-3-1-2-9(6-11)16(18,19)20/h1-7,14H,8H2,(H,22,23)