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978

Summary
Name:N-[4-(3-methylbenzamido)phenyl]-5-nitrofuran-2-carboxamide
Formula:C19 H15 N3 O5
Formal charge:0
Formula weight:365.34 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-[4-(3-methylbenzamido)phenyl]-5-nitrofuran-2-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccc(o1)[N+](=O)[O-]
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 OEToolkits3.1.0.0Cc1cccc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(o3)[N+](=O)[O-]
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(o3)[N+](=O)[O-]

254917

PDB entries from 2026-06-10

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