4-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1-oxidanidyl-imidazol-1-ium-2-carboxylate

Systemtic Name: 4-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1-oxidanidyl-imidazol-1-ium-2-carboxylate Openeye Name: 4-(2-tert-butoxy-2-oxo-ethyl)-4-indan-2-yloxycarbonyl-1-oxido-imidazol-1-ium-2-carboxylate CAS Name: 4-[2,3-dihydro-1H-inden-2-yloxy(oxo)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1-oxido-2-imidazol-1-iumcarboxylate IUPAC Name: 4-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1-oxidoimidazol-1-ium-2-carboxylate Traditional Name: 4-(2-tert-butoxy-2-keto-ethyl)-4-indan-2-yloxycarbonyl-1-oxido-imidazol-1-ium-2-carboxylate Formula: C20H21N2O7- MolecularWeight: 401.38994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-19(2,3)29-15(23)10-20(11-22(27)16(21-20)17(24)25)18(26)28-14-8-12-6-4-5-7-13(12)9-14/h4-7,11,14H,8-10H2,1-3H3,(H,24,25)/p-1