4-[3-cyano-5,6-bis(fluoranyl)indol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-cyano-5,6-bis(fluoranyl)indol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-(3-cyano-5,6-difluoro-indol-1-yl)-2-hydroxy-benzoic acid CAS Name: 4-(3-cyano-5,6-difluoro-1-indolyl)-2-hydroxybenzoic acid IUPAC Name: 4-(3-cyano-5,6-difluoroindol-1-yl)-2-hydroxybenzoic acid Traditional Name: 4-(3-cyano-5,6-difluoro-indol-1-yl)-2-hydroxy-benzoic acid Formula: C16H8F2N2O3 MolecularWeight: 314.243126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=C(C3=CC(=C(C=C32)F)F)C#N)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N2C=C(C3=CC(=C(C=C32)F)F)C#N)O)C(=O)O

InChI

InChI=1S/C16H8F2N2O3/c17-12-4-11-8(6-19)7-20(14(11)5-13(12)18)9-1-2-10(16(22)23)15(21)3-9/h1-5,7,21H,(H,22,23)