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

7NE

Summary
Name:ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate
Formula:C17 H15 N O4
Formal charge:0
Formula weight:297.305 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 2-(naphthalen-2-ylamino)-4-oxidanylidene-furan-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-9,18H,2,10H2,1H3
InChIKeyInChI1.03KDQAZKWASGPNFD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)C1=C(Nc2ccc3ccccc3c2)OCC1=O
SMILESCACTVS3.385CCOC(=O)C1=C(Nc2ccc3ccccc3c2)OCC1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)C1=C(OCC1=O)Nc2ccc3ccccc3c2
SMILESOpenEye OEToolkits2.0.7CCOC(=O)C1=C(OCC1=O)Nc2ccc3ccccc3c2

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon