2,5-bis(oxidanyl)benzoate; 1-ethyl-N4,N5,3-trimethyl-imidazol-3-ium-4,5-dicarboxamide

Systemtic Name: 2,5-bis(oxidanyl)benzoate; 1-ethyl-N4,N5,3-trimethyl-imidazol-3-ium-4,5-dicarboxamide Openeye Name: 2,5-dihydroxybenzoate; 1-ethyl-N4,N5,3-trimethyl-imidazol-3-ium-4,5-dicarboxamide CAS Name: 2,5-dihydroxybenzoate; 1-ethyl-N4,N5,3-trimethylimidazol-3-ium-4,5-dicarboxamide IUPAC Name: 2,5-dihydroxybenzoate; 1-ethyl-4-N,5-N,3-trimethylimidazol-3-ium-4,5-dicarboxamide Traditional Name: 2,5-dihydroxybenzoate; 1-ethyl-N,N',3-trimethyl-imidazol-3-ium-4,5-dicarboxamide Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C(=C1C(=O)NC)C(=O)NC)C.C1=CC(=C(C=C1O)C(=O)[O-])O

Isomeric SMILES

CCN1C=[N+](C(=C1C(=O)NC)C(=O)NC)C.C1=CC(=C(C=C1O)C(=O)[O-])O

InChI

InChI=1S/C10H16N4O2.C7H6O4/c1-5-14-6-13(4)7(9(15)11-2)8(14)10(16)12-3;8-4-1-2-6(9)5(3-4)7(10)11/h6H,5H2,1-4H3,(H-,11,12,15,16);1-3,8-9H,(H,10,11)