2-azanyl-5-nitro-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-azanyl-5-nitro-4-(trifluoromethyl)benzoic acid Openeye Name: 2-amino-5-nitro-4-(trifluoromethyl)benzoic acid CAS Name: 2-amino-5-nitro-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-amino-5-nitro-4-(trifluoromethyl)benzoic acid Traditional Name: 2-amino-5-nitro-4-(trifluoromethyl)benzoic acid Formula: C8H5F3N2O4 MolecularWeight: 250.13151

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1[N+](=O)[O-])C(F)(F)F)N)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C8H5F3N2O4/c9-8(10,11)4-2-5(12)3(7(14)15)1-6(4)13(16)17/h1-2H,12H2,(H,14,15)