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1V0

Summary
Name:2-(4-nitrophenyl)-4H-chromen-4-one
Formula:C15 H9 N O4
Formal charge:0
Formula weight:267.236 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-nitrophenyl)-4H-chromen-4-one
OpenEye OEToolkits1.7.62-(4-nitrophenyl)chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChIInChI1.03InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
InChIKeyInChI1.03CKSVYVHLZNMXLX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370[O-][N+](=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
SMILESCACTVS3.370[O-][N+](=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-]

224931

건을2024-09-11부터공개중

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