2-azanyl-4-[1-(3-azanyl-4-carboxy-phenyl)-2,2-bis(fluoranyl)ethyl]benzoic acid

Systemtic Name: 2-azanyl-4-[1-(3-azanyl-4-carboxy-phenyl)-2,2-bis(fluoranyl)ethyl]benzoic acid Openeye Name: 2-amino-4-[1-(3-amino-4-carboxy-phenyl)-2,2-difluoro-ethyl]benzoic acid CAS Name: 2-amino-4-[1-(3-amino-4-carboxyphenyl)-2,2-difluoroethyl]benzoic acid IUPAC Name: 2-amino-4-[1-(3-amino-4-carboxyphenyl)-2,2-difluoroethyl]benzoic acid Traditional Name: 2-amino-4-[1-(3-amino-4-carboxy-phenyl)-2,2-difluoro-ethyl]benzoic acid Formula: C16H14F2N2O4 MolecularWeight: 336.290166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)O)N)C(F)F)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)O)N)C(F)F)N)C(=O)O

InChI

InChI=1S/C16H14F2N2O4/c17-14(18)13(7-1-3-9(15(21)22)11(19)5-7)8-2-4-10(16(23)24)12(20)6-8/h1-6,13-14H,19-20H2,(H,21,22)(H,23,24)