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

CF9

Summary
Name:2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate
Formula:C18 H9 N O6
Formal charge:0
Formula weight:335.267 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc4OC(=O)c3cccc2c34
InChIInChI1.03InChI=1S/C18H9NO6/c20-17(10-4-6-11(7-5-10)19(22)23)24-14-8-9-15-16-12(14)2-1-3-13(16)18(21)25-15/h1-9H
InChIKeyInChI1.03JZRRRFGHBXIXDI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc3OC(=O)c4cccc2c34
SMILESCACTVS3.385[O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc3OC(=O)c4cccc2c34
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.7.6c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-]

224931

PDB entries from 2024-09-11

PDB statisticsPDBj update infoContact PDBjnumon