2-azanyl-5-[(4-azanyl-3-carboxy-phenyl)-bis(fluoranyl)methyl]benzoic acid

Systemtic Name: 2-azanyl-5-[(4-azanyl-3-carboxy-phenyl)-bis(fluoranyl)methyl]benzoic acid Openeye Name: 2-amino-5-[(4-amino-3-carboxy-phenyl)-difluoro-methyl]benzoic acid CAS Name: 2-amino-5-[(4-amino-3-carboxyphenyl)-difluoromethyl]benzoic acid IUPAC Name: 2-amino-5-[(4-amino-3-carboxyphenyl)-difluoromethyl]benzoic acid Traditional Name: 2-amino-5-[(4-amino-3-carboxy-phenyl)-difluoro-methyl]benzoic acid Formula: C15H12F2N2O4 MolecularWeight: 322.263586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F2N2O4/c16-15(17,7-1-3-11(18)9(5-7)13(20)21)8-2-4-12(19)10(6-8)14(22)23/h1-6H,18-19H2,(H,20,21)(H,22,23)