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68V

Summary
Name:3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid
Formula:C14 H11 Br N2 O3
Formal charge:0
Formula weight:335.153 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[(4-bromophenyl)carbamoyl]amino}benzoic acid
OpenEye OEToolkits2.0.43-[(4-bromophenyl)carbamoylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cc(ccc1)NC(Nc2ccc(Br)cc2)=O)O
InChIInChI1.03InChI=1S/C14H11BrN2O3/c15-10-4-6-11(7-5-10)16-14(20)17-12-3-1-2-9(8-12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
InChIKeyInChI1.03XLDDBXYVKMODRJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2)c1
SMILESCACTVS3.385OC(=O)c1cccc(NC(=O)Nc2ccc(Br)cc2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.4c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O
SMILESOpenEye OEToolkits2.0.4c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Br)C(=O)O

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PDB entries from 2024-07-10

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