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Summary
Name:2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
Formula:C21 H13 Br2 Cl N2 O5
Formal charge:0
Formula weight:568.599 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.022,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
OpenEye OEToolkits1.6.1[2,4-dibromo-6-[[(2-nitrophenyl)carbonylamino]methyl]phenyl] 2-chlorobenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Brc2cc(Br)cc(c2OC(=O)c1ccccc1Cl)CNC(=O)c3ccccc3[N+]([O-])=O
SMILES_CANONICALCACTVS3.352[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC(=O)c3ccccc3Cl
SMILESCACTVS3.352[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC(=O)c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.7.0c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C21H13Br2ClN2O5/c22-13-9-12(11-25-20(27)15-6-2-4-8-18(15)26(29)30)19(16(23)10-13)31-21(28)14-5-1-3-7-17(14)24/h1-10H,11H2,(H,25,27)
InChIKeyInChI1.03WKUUVOPOQKZMFY-UHFFFAOYSA-N

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PDB entries from 2024-11-06

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