2-azanyl-6-[2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-3-(methylamino)benzoic acid

Systemtic Name: 2-azanyl-6-[2,7-bis(fluoranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-3-(methylamino)benzoic acid Openeye Name: 2-amino-6-(2,7-difluoro-3-hydroxy-6-oxo-xanthen-9-yl)-3-(methylamino)benzoic acid CAS Name: 2-amino-6-(2,7-difluoro-3-hydroxy-6-oxo-9-xanthenyl)-3-(methylamino)benzoic acid IUPAC Name: 2-amino-6-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)-3-(methylamino)benzoic acid Traditional Name: 2-amino-6-(2,7-difluoro-3-hydroxy-6-keto-xanthen-9-yl)-3-(methylamino)benzoic acid Formula: C21H14F2N2O5 MolecularWeight: 412.343066

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=C(C=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)O)F)C(=O)O)N

Isomeric SMILES

CNC1=C(C(=C(C=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)F)O)F)C(=O)O)N

InChI

InChI=1S/C21H14F2N2O5/c1-25-13-3-2-8(19(20(13)24)21(28)29)18-9-4-11(22)14(26)6-16(9)30-17-7-15(27)12(23)5-10(17)18/h2-7,25-26H,24H2,1H3,(H,28,29)