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DQC

Summary
Name:7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
Formula:C9 H4 N4 O4
Formal charge:0
Formula weight:232.152 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.047-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
OpenEye OEToolkits1.5.07-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2
SMILES_CANONICALCACTVS3.341[O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N
SMILESCACTVS3.341[O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
SMILESOpenEye OEToolkits1.5.0c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])C#N
InChIInChI1.03InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
InChIKeyInChI1.03RPXVIAFEQBNEAX-UHFFFAOYSA-N

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PDB entries from 2024-06-05

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