[6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl oxolane-2-carboxylate

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl oxolane-2-carboxylate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl tetrahydrofuran-2-carboxylate CAS Name: 2-oxolanecarboxylic acid (3-benzoyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl oxolane-2-carboxylate Traditional Name: tetrahydrofuran-2-carboxylic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H16Cl2N2O5 MolecularWeight: 447.26814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N2O5/c22-13-9-15-17(10-14(13)23)25(28)19(20(26)12-5-2-1-3-6-12)16(24-15)11-30-21(27)18-7-4-8-29-18/h1-3,5-6,9-10,18H,4,7-8,11H2