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609

Summary
Name:7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid
Formula:C19 H10 N2 O3
Formal charge:0
Formula weight:314.294 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.047-oxo-7H-benzimidazo[2,1-a]benzo[de]isoquinoline-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5
SMILES_CANONICALCACTVS3.341OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25
SMILESCACTVS3.341OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O
InChIInChI1.03InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
InChIKeyInChI1.03MYKOWOGZBMOVBJ-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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