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LM7

Summary
Name:1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
Formula:C14 H9 N3 O5
Formal charge:0
Formula weight:299.238 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
OpenEye OEToolkits2.0.71-(3-nitro-4-oxidanyl-phenyl)quinazoline-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=[N+]([O-])c1cc(ccc1O)N3c2ccccc2C(NC3=O)=O
InChIInChI1.03InChI=1S/C14H9N3O5/c18-12-6-5-8(7-11(12)17(21)22)16-10-4-2-1-3-9(10)13(19)15-14(16)20/h1-7,18H,(H,15,19,20)
InChIKeyInChI1.03YVQCKIRAVMSRGN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1[N+]([O-])=O)N2C(=O)NC(=O)c3ccccc23
SMILESCACTVS3.385Oc1ccc(cc1[N+]([O-])=O)N2C(=O)NC(=O)c3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O

223166

건을2024-07-31부터공개중

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