Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

V4B

Summary
Name:[5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
Formula:C15 H9 F3 N2 O5
Formal charge:0
Formula weight:354.238 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(5-methanoyl-2-nitro-phenyl) 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H9F3N2O5/c1-8-10(3-5-13(19-8)15(16,17)18)14(22)25-12-6-9(7-21)2-4-11(12)20(23)24/h2-7H,1H3
InChIKeyInChI1.03IZDCFUQZXAMRMC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F
SMILESCACTVS3.385Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc(n1)C(F)(F)F)C(=O)Oc2cc(ccc2[N+](=O)[O-])C=O

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon