NIX

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Summary

Name:NALIDIXIC ACID
Formula:C12 H12 N2 O3
Formal charge:0
Molecular weight:232.235 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
OpenEye OEToolkits1.5.01-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1c(nc(cc1)C)N(C=C2C(=O)O)CC
SMILES_CANONICALCACTVS3.341CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12
SMILESCACTVS3.341CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12
SMILES_CANONICALOpenEye OEToolkits1.5.0CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O
SMILESOpenEye OEToolkits1.5.0CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O
InChIInChI1.03InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyInChI1.03MHWLWQUZZRMNGJ-UHFFFAOYSA-N
170172
PDB entries from 2020-10-21