4-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-1-oxidanidyl-imidazol-1-ium-2-carboxylic acid

Systemtic Name: 4-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-1-oxidanidyl-imidazol-1-ium-2-carboxylic acid Openeye Name: 4-indan-2-yloxycarbonyl-4-[2-(methylamino)-2-oxo-ethyl]-1-oxido-imidazol-1-ium-2-carboxylic acid CAS Name: 4-[2,3-dihydro-1H-inden-2-yloxy(oxo)methyl]-4-[2-(methylamino)-2-oxoethyl]-1-oxido-2-imidazol-1-iumcarboxylic acid IUPAC Name: 4-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-4-[2-(methylamino)-2-oxoethyl]-1-oxidoimidazol-1-ium-2-carboxylic acid Traditional Name: 4-indan-2-yloxycarbonyl-4-[2-keto-2-(methylamino)ethyl]-1-oxido-imidazol-1-ium-2-carboxylic acid Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1(C=[N+](C(=N1)C(=O)O)[O-])C(=O)OC2CC3=CC=CC=C3C2

Isomeric SMILES

CNC(=O)CC1(C=[N+](C(=N1)C(=O)O)[O-])C(=O)OC2CC3=CC=CC=C3C2

InChI

InChI=1S/C17H17N3O6/c1-18-13(21)8-17(9-20(25)14(19-17)15(22)23)16(24)26-12-6-10-4-2-3-5-11(10)7-12/h2-5,9,12H,6-8H2,1H3,(H,18,21)(H,22,23)