2-azanyl-6-chloranyl-benzoic acid; 5-chloranyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one

Systemtic Name: 2-azanyl-6-chloranyl-benzoic acid; 5-chloranyl-2-(trifluoromethyl)-3,1-benzoxazin-4-one Openeye Name: 2-amino-6-chloro-benzoic acid; 5-chloro-2-(trifluoromethyl)-3,1-benzoxazin-4-one CAS Name: 2-amino-6-chlorobenzoic acid; 5-chloro-2-(trifluoromethyl)-3,1-benzoxazin-4-one IUPAC Name: 2-amino-6-chlorobenzoic acid; 5-chloro-2-(trifluoromethyl)-3,1-benzoxazin-4-one Traditional Name: 2-amino-6-chloro-benzoic acid; 5-chloro-2-(trifluoromethyl)-3,1-benzoxazin-4-one Formula: C16H9Cl2F3N2O4 MolecularWeight: 421.15487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)O)N.C1=CC2=C(C(=C1)Cl)C(=O)OC(=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)O)N.C1=CC2=C(C(=C1)Cl)C(=O)OC(=N2)C(F)(F)F

InChI

InChI=1S/C9H3ClF3NO2.C7H6ClNO2/c10-4-2-1-3-5-6(4)7(15)16-8(14-5)9(11,12)13;8-4-2-1-3-5(9)6(4)7(10)11/h1-3H;1-3H,9H2,(H,10,11)