[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl oxolane-2-carboxylate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl oxolane-2-carboxylate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl tetrahydrofuran-2-carboxylate CAS Name: 2-oxolanecarboxylic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl oxolane-2-carboxylate Traditional Name: tetrahydrofuran-2-carboxylic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC(OC1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H18N2O5/c24-20(14-7-2-1-3-8-14)19-16(13-28-21(25)18-11-6-12-27-18)22-15-9-4-5-10-17(15)23(19)26/h1-5,7-10,18H,6,11-13H2