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VBQ

Summary
Name:2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
Formula:C16 H11 N O4
Formal charge:0
Formula weight:281.263 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19)
InChIKeyInChI1.03XIDITRUNIYHCDR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12
SMILESCACTVS3.385OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)-c3c(cccc3C(=O)NCC(=O)O)C2=O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)-c3c(cccc3C(=O)NCC(=O)O)C2=O

222415

PDB entries from 2024-07-10

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