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978

Summary
Name:~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide
Formula:C19 H15 N3 O5
Formal charge:0
Formula weight:365.34 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H15N3O5/c1-12-3-2-4-13(11-12)18(23)20-14-5-7-15(8-6-14)21-19(24)16-9-10-17(27-16)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyInChI1.06OXXRGXDESPEXMI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(c1)C(=O)Nc2ccc(NC(=O)c3oc(cc3)[N](=O)=O)cc2
SMILESCACTVS3.385Cc1cccc(c1)C(=O)Nc2ccc(NC(=O)c3oc(cc3)[N](=O)=O)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(o3)N(=O)=O
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(o3)N(=O)=O

224931

PDB entries from 2024-09-11

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