4-[[3,4-bis(fluoranyl)phenyl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[3,4-bis(fluoranyl)phenyl]amino]-3-nitro-benzoic acid Openeye Name: 4-(3,4-difluoroanilino)-3-nitro-benzoic acid CAS Name: 4-(3,4-difluoroanilino)-3-nitrobenzoic acid IUPAC Name: 4-(3,4-difluoroanilino)-3-nitrobenzoic acid Traditional Name: 4-(3,4-difluoroanilino)-3-nitro-benzoic acid Formula: C13H8F2N2O4 MolecularWeight: 294.210426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H8F2N2O4/c14-9-3-2-8(6-10(9)15)16-11-4-1-7(13(18)19)5-12(11)17(20)21/h1-6,16H,(H,18,19)