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CNI

Summary
Name:7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile
Formula:C9 H2 N4 O4
Formal charge:0
Formula weight:230.137 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)C=1C(C#N)=CC2=NC(=O)C(=O)N=C2C=1
SMILES_CANONICALCACTVS3.341[O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1C#N
SMILESCACTVS3.341[O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1C#N
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N
SMILESOpenEye OEToolkits1.5.0C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N
InChIInChI1.03InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H
InChIKeyInChI1.03IAWXTSMHXFRLQR-UHFFFAOYSA-N

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PDB entries from 2024-08-07

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