GOQ

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Summary

Name:8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
Formula:C17 H11 N O7
Formal charge:0
Molecular weight:341.272 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.68-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
InChIKeyInChI1.03BBFQZRXNYIEMAW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O
SMILESCACTVS3.385COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
SMILESOpenEye OEToolkits2.0.6COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]