J2Q

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Summary

Name:~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
Formula:C16 H17 N3 O3
Formal charge:0
Molecular weight:299.324 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H17N3O3/c1-2-22-13-5-3-4-12(14(13)20)16(21)19-11-8-6-10(7-9-11)15(17)18/h3-9,20H,2H2,1H3,(H3,17,18)(H,19,21)
InChIKeyInChI1.03OOGOBANMDCDQFM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N
SMILESCACTVS3.385CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N
SMILES_CANONICALOpenEye OEToolkits2.0.6[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)\N
SMILESOpenEye OEToolkits2.0.6CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(=N)N