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CB1

Summary
Name:5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE
Synonyms:CB1954
Tretazicar
Formula:C9 H8 N4 O5
Formal charge:0
Formula weight:252.184 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-aziridin-1-yl-2,4-dinitrobenzamide
OpenEye OEToolkits1.5.05-(aziridin-1-yl)-2,4-dinitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1c(cc(c(c1)[N+]([O-])=O)N2CC2)C(=O)N
SMILES_CANONICALCACTVS3.341NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O
SMILESCACTVS3.341NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N
SMILESOpenEye OEToolkits1.5.0c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N
InChIInChI1.03InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
InChIKeyInChI1.03WOCXQMCIOTUMJV-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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